(E)-3-(butylcarbamoylamino)-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-(butylcarbamoylamino)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(butylcarbamoylamino)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[[butylamino(oxo)methyl]amino]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(butylcarbamoylamino)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(butylcarbamoylamino)-2-cyano-acrylic acid Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=O)N/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C9H13N3O3/c1-2-3-4-11-9(15)12-6-7(5-10)8(13)14/h6H,2-4H2,1H3,(H,13,14)(H2,11,12,15)/b7-6+