(2Z)-N'-cyano-2-propylidene-propanediamide; 2-(3-nitropropylidene)propanediamide

Systemtic Name: (2Z)-N'-cyano-2-propylidene-propanediamide; 2-(3-nitropropylidene)propanediamide Openeye Name: (2Z)-N'-cyano-2-propylidene-propanediamide; 2-(3-nitropropylidene)propanediamide CAS Name: (2Z)-N'-cyano-2-propylidenepropanediamide; 2-(3-nitropropylidene)propanediamide IUPAC Name: (2Z)-N'-cyano-2-propylidenepropanediamide; 2-(3-nitropropylidene)propanediamide Traditional Name: (2Z)-N'-cyano-2-propylidene-malonamide; 2-(3-nitropropylidene)malonamide Formula: C13H18N6O6 MolecularWeight: 354.31862

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(=O)N)C(=O)NC#N.C(C[N+](=O)[O-])C=C(C(=O)N)C(=O)N

Isomeric SMILES

CC/C=C(/C(=O)N)\C(=O)NC#N.C(C[N+](=O)[O-])C=C(C(=O)N)C(=O)N

InChI

InChI=1S/C7H9N3O2.C6H9N3O4/c1-2-3-5(6(9)11)7(12)10-4-8;7-5(10)4(6(8)11)2-1-3-9(12)13/h3H,2H2,1H3,(H2,9,11)(H,10,12);2H,1,3H2,(H2,7,10)(H2,8,11)/b5-3-;