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

Systemtic Name: propyl 4-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5/c1-2-12-31-24(28)19-8-10-21(11-9-19)25-16-20-14-18(13-17-6-4-3-5-7-17)15-22(23(20)27)26(29)30/h3-11,14-16,25H,2,12-13H2,1H3