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

Systemtic Name: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(5-nitrothiazol-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-nitrothiazol-2-yl)carbamoyl]benzoic acid Formula: C11H7N3O5S MolecularWeight: 293.25538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H7N3O5S/c15-9(6-3-1-2-4-7(6)10(16)17)13-11-12-5-8(20-11)14(18)19/h1-5H,(H,16,17)(H,12,13,15)