2-[[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-[[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]-3-(3-pyridyl)propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(CC2=CC(=C(N)N)C=CC2=O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC(CC2=CC(=C(N)N)C=CC2=O)C(=O)O

InChI

InChI=1S/C16H17N3O3/c17-15(18)11-3-4-14(20)12(7-11)8-13(16(21)22)6-10-2-1-5-19-9-10/h1-5,7,9,13H,6,8,17-18H2,(H,21,22)