4-azanyl-4-oxidanylidene-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[[(E)-3-(3-pyridyl)acryloyl]amino]butyric acid Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c13-10(16)6-9(12(18)19)15-11(17)4-3-8-2-1-5-14-7-8/h1-5,7,9H,6H2,(H2,13,16)(H,15,17)(H,18,19)/b4-3+