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

Systemtic Name: 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitro-benzoate Openeye Name: 3-nitro-4-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]benzoate CAS Name: 4-[2-[2-(4-methylphenyl)-4-thiazolyl]ethylamino]-3-nitrobenzoate IUPAC Name: 4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-3-nitrobenzoate Traditional Name: 3-nitro-4-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]benzoate Formula: C19H16N3O4S- MolecularWeight: 382.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CCNC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-12-2-4-13(5-3-12)18-21-15(11-27-18)8-9-20-16-7-6-14(19(23)24)10-17(16)22(25)26/h2-7,10-11,20H,8-9H2,1H3,(H,23,24)/p-1