6-[[(3-methylphenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(3-methylphenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-6-[(3-methylanilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(3-methylanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-6-[(3-methylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-6-(m-toluidinomethylene)-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-15-6-5-9-19(10-15)22-14-18-12-17(11-16-7-3-2-4-8-16)13-20(21(18)24)23(25)26/h2-10,12-14,22H,11H2,1H3