4-methyl-2-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-methyl-2-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 4-methyl-2-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid CAS Name: 4-methyl-2-[[(5-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-methyl-2-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 4-methyl-2-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid Formula: C16H11N3O5S MolecularWeight: 357.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c1-8-2-4-10(15(21)22)11(6-8)14(20)18-16-17-12-7-9(19(23)24)3-5-13(12)25-16/h2-7H,1H3,(H,21,22)(H,17,18,20)