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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 3-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 3-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-13(20(25)23-16-6-8-18(9-7-16)24(27)28)30-21(26)15-4-3-5-19(10-15)29-11-17-12-31-14(2)22-17/h3-10,12-13H,11H2,1-2H3,(H,23,25)