dimethyl 10-[(E)-1,4-dimethoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]-6-(3-nitrophenyl)-5-(3-nitrophenyl)carbonyl-4,10-diazabicyclo[5.2.1]deca-2,4,6,8-tetraene-8,9-dicarboxylate

Systemtic Name: dimethyl 10-[(E)-1,4-dimethoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]-6-(3-nitrophenyl)-5-(3-nitrophenyl)carbonyl-4,10-diazabicyclo[5.2.1]deca-2,4,6,8-tetraene-8,9-dicarboxylate Openeye Name: dimethyl 10-[(E)-3-methoxy-1-methoxycarbonyl-3-oxo-prop-1-enyl]-5-(3-nitrobenzoyl)-6-(3-nitrophenyl)-4,10-diazabicyclo[5.2.1]deca-2,4,6,8-tetraene-8,9-dicarboxylate CAS Name: 10-[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]-6-(3-nitrophenyl)-5-[(3-nitrophenyl)-oxomethyl]-4,10-diazabicyclo[5.2.1]deca-2,4,6,8-tetraene-8,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 10-[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]-5-(3-nitrobenzoyl)-6-(3-nitrophenyl)-4,10-diazabicyclo[5.2.1]deca-2,4,6,8-tetraene-8,9-dicarboxylate Traditional Name: 10-[(E)-1-carbomethoxy-3-keto-3-methoxy-prop-1-enyl]-5-(3-nitrobenzoyl)-6-(3-nitrophenyl)-4,10-diazabicyclo[5.2.1]deca-2,4,6,8-tetraene-8,9-dicarboxylic acid dimethyl ester Formula: C31H24N4O13 MolecularWeight: 660.54126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C2C=CN=C(C(=C1C(=C2C(=O)OC)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1C2C=CN=C(C(=C1C(=C2C(=O)OC)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H24N4O13/c1-45-22(36)15-21(29(38)46-2)33-20-11-12-32-26(28(37)17-8-6-10-19(14-17)35(43)44)23(16-7-5-9-18(13-16)34(41)42)27(33)25(31(40)48-4)24(20)30(39)47-3/h5-15,20H,1-4H3/b12-11?,21-15+,27-23?,32-26?