ethyl 3-[(4-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-[(4-nitrophenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[(4-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-nitrophenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-nitrobenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(4-nitrobenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H15N3O7/c1-2-28-19(24)17-15(20-14-5-3-4-6-16(14)21(17)25)11-29-18(23)12-7-9-13(10-8-12)22(26)27/h3-10H,2,11H2,1H3