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

Systemtic Name: 2-azanyl-N-heptyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-heptyl-1-[(E)-(3-nitrophenyl)methyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-heptyl-1-[(E)-(3-nitrophenyl)methylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-heptyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-heptyl-1-[(E)-(3-nitrobenzylidene)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N7O3/c1-2-3-4-5-8-14-27-25(33)21-22-24(30-20-13-7-6-12-19(20)29-22)31(23(21)26)28-16-17-10-9-11-18(15-17)32(34)35/h6-7,9-13,15-16H,2-5,8,14,26H2,1H3,(H,27,33)/b28-16+