1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-6-keto-nicotinic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C14H18N2O4/c17-12-6-5-11(14(19)20)9-16(12)10-13(18)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H,19,20)