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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O4S/c1-11-2-4-12(5-3-11)20-18-21-13(10-27-18)9-26-17(23)15-7-6-14(22(24)25)8-16(15)19/h2-8,10H,9H2,1H3,(H,20,21)