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

Systemtic Name: N-butyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[4-(m-tolyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[4-(3-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-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]-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(=CC=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(=CC=C4)C)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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