[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C19H16N4O5S/c1-12(19(25)21-13-5-4-6-14(9-13)23(26)27)28-18(24)11-29-17-10-20-15-7-2-3-8-16(15)22-17/h2-10,12H,11H2,1H3,(H,21,25)