[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CSC(=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CSC(=N3)C

InChI

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