(E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; propanenitrile

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; propanenitrile Openeye Name: (E)-4-amino-4-oxo-but-2-enoic acid; propanenitrile CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; propanenitrile IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid; propanenitrile Traditional Name: (E)-4-amino-4-keto-but-2-enoic acid; propionitrile Formula: C7H10N2O3 MolecularWeight: 170.1659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC#N.C(=C/C(=O)O)\C(=O)N

InChI

InChI=1S/C4H5NO3.C3H5N/c5-3(6)1-2-4(7)8;1-2-3-4/h1-2H,(H2,5,6)(H,7,8);2H2,1H3/b2-1+;