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

Systemtic Name: 2-[[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-(4-methyl-3-nitrophenyl)-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]carbamoyl]benzoic acid Formula: C18H13N3O5S MolecularWeight: 383.37792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c1-10-6-7-11(8-15(10)21(25)26)14-9-27-18(19-14)20-16(22)12-4-2-3-5-13(12)17(23)24/h2-9H,1H3,(H,23,24)(H,19,20,22)