4-[(3-ethynylphenyl)carbamoylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-ethynylphenyl)carbamoylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-ethynylphenyl)carbamoylamino]-4-oxo-butanoate CAS Name: 4-[[(3-ethynylanilino)-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-[(3-ethynylphenyl)carbamoylamino]-4-oxobutanoate Traditional Name: 4-[(3-ethynylphenyl)carbamoylamino]-4-keto-butyrate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-2-9-4-3-5-10(8-9)14-13(19)15-11(16)6-7-12(17)18/h1,3-5,8H,6-7H2,(H,17,18)(H2,14,15,16,19)/p-1