ethyl 1-butyl-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 1-butyl-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 1-butyl-2-[(4-chloro-3-nitro-benzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-butyl-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2-[(4-chloro-3-nitrobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-butyl-2-[(4-chloro-3-nitro-benzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C24H22ClN5O5 MolecularWeight: 495.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN5O5/c1-3-5-12-29-21(28-23(31)14-10-11-15(25)18(13-14)30(33)34)19(24(32)35-4-2)20-22(29)27-17-9-7-6-8-16(17)26-20/h6-11,13H,3-5,12H2,1-2H3,(H,28,31)