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

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(2-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=C3OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

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