2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-nitro-6-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-nitro-6-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]benzoic acid Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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