(Z)-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxidanylidene-1-phenylazanyl-prop-1-en-1-olate; [2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]azanium

Systemtic Name: (Z)-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxidanylidene-1-phenylazanyl-prop-1-en-1-olate; [2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]azanium Openeye Name: (Z)-1-anilino-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxo-prop-1-en-1-olate; 1,1-bis(hydroxymethyl)propylammonium CAS Name: (Z)-1-anilino-2-cyano-3-(1-methyl-2-pyrrolyl)-3-oxo-1-propen-1-olate; [1-hydroxy-2-(hydroxymethyl)butan-2-yl]ammonium IUPAC Name: (Z)-1-anilino-2-cyano-3-(1-methylpyrrol-2-yl)-3-oxoprop-1-en-1-olate; [1-hydroxy-2-(hydroxymethyl)butan-2-yl]azanium Traditional Name: (Z)-1-anilino-2-cyano-3-keto-3-(1-methylpyrrol-2-yl)prop-1-en-1-olate; 1,1-dimethylolpropylammonium Formula: C20H26N4O4 MolecularWeight: 386.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)[NH3+].CN1C=CC=C1C(=O)C(=C(NC2=CC=CC=C2)[O-])C#N

Isomeric SMILES

CCC(CO)(CO)[NH3+].CN1C=CC=C1C(=O)/C(=C(/NC2=CC=CC=C2)\[O-])/C#N

InChI

InChI=1S/C15H13N3O2.C5H13NO2/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11;1-2-5(6,3-7)4-8/h2-9,17,20H,1H3;7-8H,2-4,6H2,1H3/b15-12-;