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

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

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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)