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

Systemtic Name: (E)-4-[bis(cyanomethyl)carbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[bis(cyanomethyl)carbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[[bis(cyanomethyl)amino]-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[bis(cyanomethyl)carbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[bis(cyanomethyl)carbamoylamino]-4-keto-but-2-enoic acid Formula: C9H8N4O4 MolecularWeight: 236.18422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O4/c10-3-5-13(6-4-11)9(17)12-7(14)1-2-8(15)16/h1-2H,5-6H2,(H,15,16)(H,12,14,17)/b2-1+