4-azanyl-2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(4-cyanophenyl)acryloyl]amino]-4-keto-butyric acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(CC(=O)N)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c15-8-10-3-1-9(2-4-10)5-6-13(19)17-11(14(20)21)7-12(16)18/h1-6,11H,7H2,(H2,16,18)(H,17,19)(H,20,21)/b6-5+