1-[4-(2-ethoxy-2-oxidanylidene-ethyl)-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[4-(2-ethoxy-2-oxidanylidene-ethyl)-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrole-3-carboxylic acid Openeye Name: 1-[4-(2-ethoxy-2-oxo-ethyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carboxylic acid CAS Name: 1-[4-(2-ethoxy-2-oxoethyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[4-(2-ethoxy-2-oxoethyl)-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl]pyrrole-3-carboxylic acid Traditional Name: 1-[4-(2-ethoxy-2-keto-ethyl)-2,3-diketo-7-nitro-1H-quinoxalin-6-yl]pyrrole-3-carboxylic acid Formula: C17H14N4O8 MolecularWeight: 402.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N4O8/c1-2-29-14(22)8-20-11-6-12(19-4-3-9(7-19)17(25)26)13(21(27)28)5-10(11)18-15(23)16(20)24/h3-7H,2,8H2,1H3,(H,18,23)(H,25,26)