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

Systemtic Name: methyl 4-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5/c1-29-22(26)17-7-9-19(10-8-17)23-14-18-12-16(11-15-5-3-2-4-6-15)13-20(21(18)25)24(27)28/h2-10,12-14,23H,11H2,1H3