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

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-20-16-7-6-13(9-17(16)22(24)25)19(23)27-10-14-11-28-18(21-14)12-4-3-5-15(8-12)26-2/h3-9,11,20H,10H2,1-2H3