ethyl 2-azanyl-1-(4-chlorophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-(4-chlorophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-chlorophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-chlorophenyl)-6,7-dinitro-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-chlorophenyl)-6,7-dinitropyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-chlorophenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C19H13ClN6O6 MolecularWeight: 456.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN6O6/c1-2-32-19(27)15-16-18(24(17(15)21)10-5-3-9(20)4-6-10)23-12-8-14(26(30)31)13(25(28)29)7-11(12)22-16/h3-8H,2,21H2,1H3