4-chloranyl-2-nitro-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[3-(2-oxo-1-pyrrolidinyl)propyliminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]phenolate Traditional Name: 4-chloro-2-[3-(2-ketopyrrolidino)propyliminomethyl]-6-nitro-phenolate Formula: C14H15ClN3O4- MolecularWeight: 324.7396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1CC(=O)N(C1)CCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H16ClN3O4/c15-11-7-10(14(20)12(8-11)18(21)22)9-16-4-2-6-17-5-1-3-13(17)19/h7-9,20H,1-6H2/p-1