2-[(4-methylphenyl)amino]-5-nitro-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[(4-methylphenyl)amino]-5-nitro-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(4-methylanilino)-5-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: 2-(4-methylanilino)-5-nitro-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(4-methylanilino)-5-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: 5-nitro-2-(p-toluidino)cyclohepta-2,4,6-trien-1-one Formula: C14H12N2O3 MolecularWeight: 256.25668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O3/c1-10-2-4-11(5-3-10)15-13-8-6-12(16(18)19)7-9-14(13)17/h2-9H,1H3,(H,15,17)