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

Systemtic Name: 3-nitro-5-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 3-nitro-5-[[4-(2,4,6-trimethylphenyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 3-nitro-5-[oxo-[[4-(2,4,6-trimethylphenyl)-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 3-nitro-5-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 3-[(4-mesitylthiazol-2-yl)carbamoyl]-5-nitro-benzoic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-10-4-11(2)17(12(3)5-10)16-9-29-20(21-16)22-18(24)13-6-14(19(25)26)8-15(7-13)23(27)28/h4-9H,1-3H3,(H,25,26)(H,21,22,24)