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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-12-3-5-13(6-4-12)18-21-15(11-27-18)10-26-19(23)14-7-8-16(20-2)17(9-14)22(24)25/h3-9,11,20H,10H2,1-2H3