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

Systemtic Name: ethyl 2-azanyl-1-(2-methoxyphenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-(2-methoxyphenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-methoxyphenyl)-6,7-dinitro-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(2-methoxyphenyl)-6,7-dinitropyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2-methoxyphenyl)-6,7-dinitro-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C20H16N6O7 MolecularWeight: 452.37704

Click to see the large picture

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=C4OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC(=C(C=C3N=C12)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4OC)N

InChI

InChI=1S/C20H16N6O7/c1-3-33-20(27)16-17-19(24(18(16)21)12-6-4-5-7-15(12)32-2)23-11-9-14(26(30)31)13(25(28)29)8-10(11)22-17/h4-9H,3,21H2,1-2H3