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

Systemtic Name: 6-[[(3,4-dimethylphenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-6-[(3,4-dimethylanilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(3,4-dimethylanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-6-[(3,4-dimethylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-6-[(3,4-dimethylanilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-15-8-9-20(10-16(15)2)23-14-19-12-18(11-17-6-4-3-5-7-17)13-21(22(19)25)24(26)27/h3-10,12-14,23H,11H2,1-2H3