methyl 3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-(1-pyrrolidinylmethyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-(pyrrolidinomethyl)benzyl]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)18-10-17(11-19(12-18)24(27)28)20(25)22-13-15-6-2-3-7-16(15)14-23-8-4-5-9-23/h2-3,6-7,10-12H,4-5,8-9,13-14H2,1H3,(H,22,25)