N-[(Z)-[4-(2-chloranyl-4-nitro-phenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(Z)-[4-(2-chloranyl-4-nitro-phenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[(Z)-[4-(2-chloro-4-nitro-phenoxy)phenyl]methyleneamino]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[(Z)-[4-(2-chloro-4-nitro-phenoxy)benzylidene]amino]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C19H20ClN4O4+ MolecularWeight: 403.8395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NN=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N/N=C\C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O4/c20-17-11-15(24(26)27)5-8-18(17)28-16-6-3-14(4-7-16)12-21-22-19(25)13-23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2,(H,22,25)/p+1/b21-12-