[4-ethoxy-3-[5-[1-ethoxy-1-oxidanylidene-3-(phenylcarbonyloxy)but-2-en-2-yl]-2,4-dinitro-phenyl]-4-oxidanylidene-but-2-en-2-yl] benzoate

Systemtic Name: [4-ethoxy-3-[5-[1-ethoxy-1-oxidanylidene-3-(phenylcarbonyloxy)but-2-en-2-yl]-2,4-dinitro-phenyl]-4-oxidanylidene-but-2-en-2-yl] benzoate Openeye Name: [2-[5-(2-benzoyloxy-1-ethoxycarbonyl-prop-1-enyl)-2,4-dinitro-phenyl]-3-ethoxy-1-methyl-3-oxo-prop-1-enyl] benzoate CAS Name: benzoic acid [3-[5-(3-benzoyloxy-1-ethoxy-1-oxobut-2-en-2-yl)-2,4-dinitrophenyl]-4-ethoxy-4-oxobut-2-en-2-yl] ester IUPAC Name: [3-[5-(3-benzoyloxy-1-ethoxy-1-oxobut-2-en-2-yl)-2,4-dinitrophenyl]-4-ethoxy-4-oxobut-2-en-2-yl] benzoate Traditional Name: benzoic acid [2-[5-(2-benzoyloxy-1-carbethoxy-prop-1-enyl)-2,4-dinitro-phenyl]-3-ethoxy-3-keto-1-methyl-prop-1-enyl] ester Formula: C32H28N2O12 MolecularWeight: 632.57092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)OC(=O)C1=CC=CC=C1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=C(C)OC(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(C)OC(=O)C1=CC=CC=C1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=C(C)OC(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C32H28N2O12/c1-5-43-31(37)27(19(3)45-29(35)21-13-9-7-10-14-21)23-17-24(26(34(41)42)18-25(23)33(39)40)28(32(38)44-6-2)20(4)46-30(36)22-15-11-8-12-16-22/h7-18H,5-6H2,1-4H3