2-[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(E)-3-(3-cyanophenyl)-1-oxoprop-2-enyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(E)-3-(3-cyanophenyl)acryloyl]amino]acetyl]amino]acetic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=CC(=O)NCC(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=C/C(=O)NCC(=O)NCC(=O)O)C#N

InChI

InChI=1S/C14H13N3O4/c15-7-11-3-1-2-10(6-11)4-5-12(18)16-8-13(19)17-9-14(20)21/h1-6H,8-9H2,(H,16,18)(H,17,19)(H,20,21)/b5-4+