2-[[(1-methyl-6-oxidanylidene-3H-pyridin-1-ium-3-yl)carbonylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[(1-methyl-6-oxidanylidene-3H-pyridin-1-ium-3-yl)carbonylamino]carbamoyl]benzoic acid Openeye Name: 2-[[(1-methyl-6-oxo-3H-pyridin-1-ium-3-carbonyl)amino]carbamoyl]benzoic acid CAS Name: 2-[[[(1-methyl-6-oxo-3H-pyridin-1-ium-3-yl)-oxomethyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[(1-methyl-6-oxo-3H-pyridin-1-ium-3-carbonyl)amino]carbamoyl]benzoic acid Traditional Name: 2-[[(6-keto-1-methyl-3H-pyridin-1-ium-3-carbonyl)amino]carbamoyl]benzoic acid Formula: C15H14N3O5+ MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(C=CC1=O)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[N+]1=CC(C=CC1=O)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13N3O5/c1-18-8-9(6-7-12(18)19)13(20)16-17-14(21)10-4-2-3-5-11(10)15(22)23/h2-9H,1H3,(H2-,16,17,20,21,22,23)/p+1