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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

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