4-[5-azanyl-2-(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[5-azanyl-2-(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[5-amino-2-(3-cyanopropoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[5-amino-2-(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[5-amino-2-(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[5-amino-2-(3-cyanopropoxy)phenyl]-2,4-diketo-butyric acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)CC(=O)C(=O)O)OCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)CC(=O)C(=O)O)OCCCC#N

InChI

InChI=1S/C14H14N2O5/c15-5-1-2-6-21-13-4-3-9(16)7-10(13)11(17)8-12(18)14(19)20/h3-4,7H,1-2,6,8,16H2,(H,19,20)