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

Systemtic Name: N-butyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-3-nitro-N-[2-oxo-2-[4-(p-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]benzamide CAS Name: N-butyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[4-(p-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethyl]-3-nitro-benzamide Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N4O4/c1-3-4-18-32(31(37)24-9-7-10-25(20-24)35(38)39)21-29(36)34-27-12-6-5-11-26(27)33-19-8-13-28(33)30(34)23-16-14-22(2)15-17-23/h5-17,19-20,30H,3-4,18,21H2,1-2H3