2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[4-(4-methoxy-3-nitrophenyl)-5-methyl-2-thiazolyl]amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[4-(4-methoxy-3-nitrophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)-5-methyl-thiazol-2-yl]carbamoyl]-6-nitro-benzoic acid Formula: C19H14N4O8S MolecularWeight: 458.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O8S/c1-9-16(10-6-7-14(31-2)13(8-10)23(29)30)20-19(32-9)21-17(24)11-4-3-5-12(22(27)28)15(11)18(25)26/h3-8H,1-2H3,(H,25,26)(H,20,21,24)