ethyl 4-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate Openeye Name: ethyl 4-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate CAS Name: 4-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Traditional Name: 4-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid ethyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5/c1-2-30-23(27)18-8-10-20(11-9-18)24-15-19-13-17(12-16-6-4-3-5-7-16)14-21(22(19)26)25(28)29/h3-11,13-15,24H,2,12H2,1H3