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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18N2O5S/c1-14(21(25)22-18-8-4-5-9-19(18)23(26)27)28-20(24)13-29-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14H,13H2,1H3,(H,22,25)