ethyl 3-[6-nitro-2,3-bis(oxidanylidene)-7-pyrrol-1-yl-4H-quinoxalin-1-yl]propanoate

Systemtic Name: ethyl 3-[6-nitro-2,3-bis(oxidanylidene)-7-pyrrol-1-yl-4H-quinoxalin-1-yl]propanoate Openeye Name: ethyl 3-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxalin-1-yl)propanoate CAS Name: 3-[6-nitro-2,3-dioxo-7-(1-pyrrolyl)-4H-quinoxalin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxalin-1-yl)propanoate Traditional Name: 3-(2,3-diketo-6-nitro-7-pyrrol-1-yl-4H-quinoxalin-1-yl)propionic acid ethyl ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C17H16N4O6/c1-2-27-15(22)5-8-20-12-10-13(19-6-3-4-7-19)14(21(25)26)9-11(12)18-16(23)17(20)24/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,18,23)