ethyl 1-butyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 1-butyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 1-butyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 1-butyl-2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-butyl-2-[[3-(3-nitrophenyl)acryloyl]amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O5/c1-3-5-15-30-24(29-21(32)14-13-17-9-8-10-18(16-17)31(34)35)22(26(33)36-4-2)23-25(30)28-20-12-7-6-11-19(20)27-23/h6-14,16H,3-5,15H2,1-2H3,(H,29,32)