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

Systemtic Name: ethyl 2-azanyl-1-(2-methylphenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-6,7-dinitro-1-(o-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-methylphenyl)-6,7-dinitro-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(2-methylphenyl)-6,7-dinitropyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-6,7-dinitro-1-(o-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C20H16N6O6 MolecularWeight: 436.37764

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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=CC=C4C)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC(=C(C=C3N=C12)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4C)N

InChI

InChI=1S/C20H16N6O6/c1-3-32-20(27)16-17-19(24(18(16)21)13-7-5-4-6-10(13)2)23-12-9-15(26(30)31)14(25(28)29)8-11(12)22-17/h4-9H,3,21H2,1-2H3