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

Systemtic Name: 2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[3-(2-methylthiazol-4-yl)phenyl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[3-(2-methyl-4-thiazolyl)anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[3-(2-methylthiazol-4-yl)phenyl]carbamoyl]-6-nitro-benzoic acid Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

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