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

Systemtic Name: 6-[[(2,4-dimethoxyphenyl)amino]methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-6-[(2,4-dimethoxyanilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2,4-dimethoxyanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-6-[(2,4-dimethoxyanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-6-[(2,4-dimethoxyanilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H20N2O5/c1-28-18-8-9-19(21(13-18)29-2)23-14-17-11-16(10-15-6-4-3-5-7-15)12-20(22(17)25)24(26)27/h3-9,11-14,23H,10H2,1-2H3