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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-20-16-8-3-12(9-17(16)23(25)26)18(24)28-10-14-11-29-19(22-14)21-13-4-6-15(27-2)7-5-13/h3-9,11,20H,10H2,1-2H3,(H,21,22)