4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(4-methylbenzoyl)piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 3-nitro-4-(4-p-toluoylpiperazino)benzaldehyde Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-14-2-5-16(6-3-14)19(24)21-10-8-20(9-11-21)17-7-4-15(13-23)12-18(17)22(25)26/h2-7,12-13H,8-11H2,1H3