6-[[(3,5-dimethyl-2-oxidanyl-phenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(3,5-dimethyl-2-oxidanyl-phenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-6-[(2-hydroxy-3,5-dimethyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2-hydroxy-3,5-dimethylanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-6-[(2-hydroxy-3,5-dimethylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-6-[(2-hydroxy-3,5-dimethyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C22H20N2O4 MolecularWeight: 376.4052

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4/c1-14-8-15(2)21(25)19(9-14)23-13-18-11-17(10-16-6-4-3-5-7-16)12-20(22(18)26)24(27)28/h3-9,11-13,23,25H,10H2,1-2H3