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

Systemtic Name: 4-azanyl-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[(E)-3-(m-tolyl)acryloyl]amino]butyric acid Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C14H16N2O4/c1-9-3-2-4-10(7-9)5-6-13(18)16-11(14(19)20)8-12(15)17/h2-7,11H,8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)/b6-5+