(E)-3-[2,4-bis(propanoylamino)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-bis(propanoylamino)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[2,4-bis(propanoylamino)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[2,4-bis(1-oxopropylamino)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[2,4-bis(propanoylamino)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-2-cyano-3-(2,4-dipropionamidophenyl)acrylic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C=C(C#N)C(=O)O)NC(=O)CC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)O)NC(=O)CC

InChI

InChI=1S/C16H17N3O4/c1-3-14(20)18-12-6-5-10(7-11(9-17)16(22)23)13(8-12)19-15(21)4-2/h5-8H,3-4H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/b11-7+