[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

InChI

InChI=1S/C20H17N3O6S/c1-13(19(24)22-15-5-7-17(8-6-15)23(26)27)29-20(25)14-3-2-4-18(9-14)28-10-16-11-30-12-21-16/h2-9,11-13H,10H2,1H3,(H,22,24)