methyl 5-nitro-2-[[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methylamino]benzoate Openeye Name: methyl 5-nitro-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]benzoate CAS Name: 5-nitro-2-[[2-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]benzoate Traditional Name: 2-[[2-[(2-ketopyrrolidino)methyl]benzyl]amino]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2CN3CCCC3=O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2CN3CCCC3=O

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)17-11-16(23(26)27)8-9-18(17)21-12-14-5-2-3-6-15(14)13-22-10-4-7-19(22)24/h2-3,5-6,8-9,11,21H,4,7,10,12-13H2,1H3