(E)-4-[bis(cyanomethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[bis(cyanomethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[bis(cyanomethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[bis(cyanomethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[bis(cyanomethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[bis(cyanomethyl)amino]-4-keto-but-2-enoic acid Formula: C8H7N3O3 MolecularWeight: 193.15948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(C#N)N(CC#N)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C8H7N3O3/c9-3-5-11(6-4-10)7(12)1-2-8(13)14/h1-2H,5-6H2,(H,13,14)/b2-1+