ethyl 2-azanyl-1-[3-(3,5-dinitrophenyl)carbonyloxypropyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-[3-(3,5-dinitrophenyl)carbonyloxypropyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[3-(3,5-dinitrobenzoyl)oxypropyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[3-[(3,5-dinitrophenyl)-oxomethoxy]propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[3-(3,5-dinitrobenzoyl)oxypropyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[3-(3,5-dinitrobenzoyl)oxypropyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C23H20N6O8 MolecularWeight: 508.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O8/c1-2-36-23(31)18-19-21(26-17-7-4-3-6-16(17)25-19)27(20(18)24)8-5-9-37-22(30)13-10-14(28(32)33)12-15(11-13)29(34)35/h3-4,6-7,10-12H,2,5,8-9,24H2,1H3