[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)benzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-(4-methylphenyl)benzoate Traditional Name: 4-(p-tolyl)benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)18(24)27-11-16(23)21-19-20-10-17(28-19)22(25)26/h2-10H,11H2,1H3,(H,20,21,23)