3-[(Z)-N-(5-oxidanyl-5-oxidanylidene-pentoxy)-C-pyridin-3-yl-carbonimidoyl]benzoic acid

Systemtic Name: 3-[(Z)-N-(5-oxidanyl-5-oxidanylidene-pentoxy)-C-pyridin-3-yl-carbonimidoyl]benzoic acid Openeye Name: 3-[(Z)-N-(5-hydroxy-5-oxo-pentoxy)-C-(3-pyridyl)carbonimidoyl]benzoic acid CAS Name: 3-[(Z)-(5-hydroxy-5-oxopentoxy)imino-(3-pyridinyl)methyl]benzoic acid IUPAC Name: 3-[(Z)-N-(5-hydroxy-5-oxopentoxy)-C-pyridin-3-ylcarbonimidoyl]benzoic acid Traditional Name: 3-[(Z)-N-(5-hydroxy-5-keto-pentoxy)-C-(3-pyridyl)carbonimidoyl]benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=NOCCCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)/C(=N/OCCCCC(=O)O)/C2=CN=CC=C2

InChI

InChI=1S/C18H18N2O5/c21-16(22)8-1-2-10-25-20-17(15-7-4-9-19-12-15)13-5-3-6-14(11-13)18(23)24/h3-7,9,11-12H,1-2,8,10H2,(H,21,22)(H,23,24)/b20-17-