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

Systemtic Name: 4-methyl-2-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenolate Openeye Name: 2-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-methyl-phenolate CAS Name: 4-methyl-2-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]phenolate IUPAC Name: 2-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4-methylphenolate Traditional Name: 2-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4-methyl-phenolate Formula: C21H17N2O4- MolecularWeight: 361.37068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)[O-])NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4/c1-14-7-8-20(24)18(9-14)22-13-17-11-16(10-15-5-3-2-4-6-15)12-19(21(17)25)23(26)27/h2-9,11-13,22,24H,10H2,1H3/p-1