2-azanyl-1-(4-chloranyl-3-nitro-phenyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-chloranyl-3-nitro-phenyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-chloro-3-nitro-phenyl)-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-chloro-3-nitrophenyl)-N-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-chloro-3-nitrophenyl)-N-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-chloro-3-nitro-phenyl)-N-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H19ClN6O3 MolecularWeight: 486.90976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C25H19ClN6O3/c1-14-6-8-15(9-7-14)13-28-25(33)21-22-24(30-19-5-3-2-4-18(19)29-22)31(23(21)27)16-10-11-17(26)20(12-16)32(34)35/h2-12H,13,27H2,1H3,(H,28,33)