4-[[4-[(2R)-2-cyano-3-ethoxy-3-oxidanylidene-propanoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[(2R)-2-cyano-3-ethoxy-3-oxidanylidene-propanoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(2R)-2-cyano-3-ethoxy-3-oxo-propanoyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(2R)-2-cyano-3-ethoxy-1,3-dioxopropyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[(2R)-2-cyano-3-ethoxy-3-oxopropanoyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[(2R)-2-cyano-3-ethoxy-3-keto-propanoyl]anilino]-4-keto-butyrate Formula: C16H15N2O6- MolecularWeight: 331.3001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C#N)C(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H16N2O6/c1-2-24-16(23)12(9-17)15(22)10-3-5-11(6-4-10)18-13(19)7-8-14(20)21/h3-6,12H,2,7-8H2,1H3,(H,18,19)(H,20,21)/p-1/t12-/m1/s1