[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-nitrobenzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S/c1-12-5-7-14(8-6-12)19-18-20-15(11-26-18)10-25-17(22)13-3-2-4-16(9-13)21(23)24/h2-9,11H,10H2,1H3,(H,19,20)