2-azanyl-N-butyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-butyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-[(E)-(3-nitrophenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-[(E)-(3-nitrophenyl)methylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-[(E)-(3-nitrobenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C22H21N7O3/c1-2-3-11-24-22(30)18-19-21(27-17-10-5-4-9-16(17)26-19)28(20(18)23)25-13-14-7-6-8-15(12-14)29(31)32/h4-10,12-13H,2-3,11,23H2,1H3,(H,24,30)/b25-13+