[5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [2-benzoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-3-nitro-phenyl] benzoate CAS Name: benzoic acid [2-benzoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitrophenyl] ester IUPAC Name: [2-benzoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-3-nitrophenyl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-3-nitro-phenyl] ester Formula: C28H23N3O7 MolecularWeight: 513.49812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C28H23N3O7/c1-3-30(4-2)26(32)22(18-29)15-19-16-23(31(35)36)25(38-28(34)21-13-9-6-10-14-21)24(17-19)37-27(33)20-11-7-5-8-12-20/h5-17H,3-4H2,1-2H3/b22-15+