(E)-2-diazonio-1-[5-ethoxycarbonyl-3-[2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]-1H-pyrrol-2-yl]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[5-ethoxycarbonyl-3-[2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]-1H-pyrrol-2-yl]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-1-[3-(1-benzyl-2-oxo-pyrrolidin-3-yl)-5-ethoxycarbonyl-1H-pyrrol-2-yl]-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[5-ethoxycarbonyl-3-[2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]-1H-pyrrol-2-yl]-3-oxo-1-buten-1-olate IUPAC Name: (E)-1-[3-(1-benzyl-2-oxopyrrolidin-3-yl)-5-ethoxycarbonyl-1H-pyrrol-2-yl]-2-diazonio-3-oxobut-1-en-1-olate Traditional Name: (E)-1-[3-(1-benzyl-2-keto-pyrrolidin-3-yl)-5-carbethoxy-1H-pyrrol-2-yl]-2-diazonio-3-keto-but-1-en-1-olate Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1)C(=C(C(=O)C)[N+]#N)[O-])C2CCN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1)/C(=C(/C(=O)C)\[N+]#N)/[O-])C2CCN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c1-3-31-22(30)17-11-16(19(24-17)20(28)18(25-23)13(2)27)15-9-10-26(21(15)29)12-14-7-5-4-6-8-14/h4-8,11,15H,3,9-10,12H2,1-2H3,(H-,24,27,28,30)