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

Systemtic Name: ethyl 2-azanyl-1-[2-(3,5-dinitrophenyl)carbonyloxyethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[2-(3,5-dinitrobenzoyl)oxyethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-[(3,5-dinitrophenyl)-oxomethoxy]ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[2-(3,5-dinitrobenzoyl)oxyethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[2-(3,5-dinitrobenzoyl)oxyethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C22H18N6O8 MolecularWeight: 494.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18N6O8/c1-2-35-22(30)17-18-20(25-16-6-4-3-5-15(16)24-18)26(19(17)23)7-8-36-21(29)12-9-13(27(31)32)11-14(10-12)28(33)34/h3-6,9-11H,2,7-8,23H2,1H3