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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 3-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 3-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 3-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7S/c1-13-22-15(12-32-13)10-30-17-5-3-4-14(8-17)21(26)31-11-20(25)23-18-7-6-16(24(27)28)9-19(18)29-2/h3-9,12H,10-11H2,1-2H3,(H,23,25)