[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 2-methoxy-5-nitro-benzoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N3O6S/c1-26-15-6-3-12(4-7-15)20-19-21-13(11-29-19)10-28-18(23)16-9-14(22(24)25)5-8-17(16)27-2/h3-9,11H,10H2,1-2H3,(H,20,21)