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

Systemtic Name: 2-azanyl-N-butyl-1-(4-chloranyl-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-(4-chloro-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-(4-chloro-3-nitrophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-(4-chloro-3-nitrophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-(4-chloro-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H19ClN6O3 MolecularWeight: 438.86696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O3/c1-2-3-10-24-21(29)17-18-20(26-15-7-5-4-6-14(15)25-18)27(19(17)23)12-8-9-13(22)16(11-12)28(30)31/h4-9,11H,2-3,10,23H2,1H3,(H,24,29)