2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitro-benzoic acid Openeye Name: 5-nitro-2-[2-[2-(p-tolyl)thiazol-4-yl]ethylamino]benzoic acid CAS Name: 2-[2-[2-(4-methylphenyl)-4-thiazolyl]ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitrobenzoic acid Traditional Name: 5-nitro-2-[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)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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