(6E)-6-[[(4-methyl-2-oxidanyl-phenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[(4-methyl-2-oxidanyl-phenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-benzyl-6-[(2-hydroxy-4-methyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(2-hydroxy-4-methylanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-benzyl-6-[(2-hydroxy-4-methylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-benzyl-6-[(2-hydroxy-4-methyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3)O

InChI

InChI=1S/C21H18N2O4/c1-14-7-8-18(20(24)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/b17-13+