4-[carboxy-(phenylmethyl)amino]-4-oxidanylidene-but-2-ynoic acid

Systemtic Name: 4-[carboxy-(phenylmethyl)amino]-4-oxidanylidene-but-2-ynoic acid Openeye Name: 4-[benzyl(carboxy)amino]-4-oxo-but-2-ynoic acid CAS Name: 4-[carboxy-(phenylmethyl)amino]-4-oxo-2-butynoic acid IUPAC Name: 4-[benzyl(carboxy)amino]-4-oxobut-2-ynoic acid Traditional Name: 4-[benzyl(carboxy)amino]-4-keto-but-2-ynoic acid Formula: C12H9NO5 MolecularWeight: 247.20356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(=O)C#CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C(=O)C#CC(=O)O)C(=O)O

InChI

InChI=1S/C12H9NO5/c14-10(6-7-11(15)16)13(12(17)18)8-9-4-2-1-3-5-9/h1-5H,8H2,(H,15,16)(H,17,18)