N-[bis(azanyl)methylidene]-1-(3-chloranyl-4-nitro-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-(3-chloranyl-4-nitro-phenyl)pyrrolidine-2-carboxamide Openeye Name: 1-(3-chloro-4-nitro-phenyl)-N-(diaminomethylene)pyrrolidine-2-carboxamide CAS Name: 1-(3-chloro-4-nitrophenyl)-N-(diaminomethylidene)-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-chloro-4-nitrophenyl)-N-(diaminomethylidene)pyrrolidine-2-carboxamide Traditional Name: 1-(3-chloro-4-nitro-phenyl)-N-(diaminomethylene)pyrrolidine-2-carboxamide Formula: C12H14ClN5O3 MolecularWeight: 311.72426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)N=C(N)N

Isomeric SMILES

C1CC(N(C1)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)N=C(N)N

InChI

InChI=1S/C12H14ClN5O3/c13-8-6-7(3-4-9(8)18(20)21)17-5-1-2-10(17)11(19)16-12(14)15/h3-4,6,10H,1-2,5H2,(H4,14,15,16,19)