[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 3-nitrobenzoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-25-16-7-5-13(6-8-16)19-18-20-14(11-27-18)10-26-17(22)12-3-2-4-15(9-12)21(23)24/h2-9,11H,10H2,1H3,(H,19,20)