(E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile Openeye Name: (E)-4-amino-4-oxo-but-2-enoic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile Traditional Name: (E)-4-amino-4-keto-but-2-enoic acid; (2E,4E)-5-phenylpenta-2,4-dienenitrile Formula: C15H14N2O3 MolecularWeight: 270.28326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C=C/C#N.C(=C/C(=O)O)\C(=O)N

InChI

InChI=1S/C11H9N.C4H5NO3/c12-10-6-2-5-9-11-7-3-1-4-8-11;5-3(6)1-2-4(7)8/h1-9H;1-2H,(H2,5,6)(H,7,8)/b6-2+,9-5+;2-1+