2-[[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-en-2-yl]-(4-nitrophenyl)carbonyl-amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[[(E)-4-ethoxy-3-methyl-4-oxidanylidene-but-2-en-2-yl]-(4-nitrophenyl)carbonyl-amino]ethyl 4-nitrobenzoate Openeye Name: 2-[[(E)-3-ethoxy-1,2-dimethyl-3-oxo-prop-1-enyl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-[(4-nitrophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[(E)-4-ethoxy-3-methyl-4-oxobut-2-en-2-yl]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[[(E)-3-ethoxy-3-keto-1,2-dimethyl-prop-1-enyl]-(4-nitrobenzoyl)amino]ethyl ester Formula: C23H23N3O9 MolecularWeight: 485.44342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C(\C)/N(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C

InChI

InChI=1S/C23H23N3O9/c1-4-34-22(28)15(2)16(3)24(21(27)17-5-9-19(10-6-17)25(30)31)13-14-35-23(29)18-7-11-20(12-8-18)26(32)33/h5-12H,4,13-14H2,1-3H3/b16-15+