N-butyl-4-methyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-methyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-4-methyl-N-[2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-4-methyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-methyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]-4-methyl-3-nitro-benzamide Formula: C32H32N4O4 MolecularWeight: 536.62088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC(=CC=C4)C)C(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC(=CC=C4)C)C(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C32H32N4O4/c1-4-5-17-33(32(38)25-16-15-23(3)29(20-25)36(39)40)21-30(37)35-27-13-7-6-12-26(27)34-18-9-14-28(34)31(35)24-11-8-10-22(2)19-24/h6-16,18-20,31H,4-5,17,21H2,1-3H3