4-[C-methyl-N-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]carbonimidoyl]benzenecarbonitrile

Systemtic Name: 4-[C-methyl-N-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]carbonimidoyl]benzenecarbonitrile Openeye Name: 4-[C-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)carbonimidoyl]benzonitrile CAS Name: 4-[1-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]ethyl]benzonitrile IUPAC Name: 4-[C-methyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)carbonimidoyl]benzonitrile Traditional Name: 4-[C-methyl-N-(2-nitro-4-pyrrolidinosulfonyl-anilino)carbonimidoyl]benzonitrile Formula: C19H19N5O4S MolecularWeight: 413.45026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5O4S/c1-14(16-6-4-15(13-20)5-7-16)21-22-18-9-8-17(12-19(18)24(25)26)29(27,28)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11H2,1H3