2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-(4-methoxy-3-nitrophenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-methoxy-3-nitrophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-thiazol-2-yl]carbamoyl]benzoic acid Formula: C19H15N3O6S MolecularWeight: 413.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC=CC=C2C(=O)O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC=CC=C2C(=O)O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c1-10-16(11-7-8-15(28-2)14(9-11)22(26)27)20-19(29-10)21-17(23)12-5-3-4-6-13(12)18(24)25/h3-9H,1-2H3,(H,24,25)(H,20,21,23)