methyl 2-methoxy-5-[[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[(3-nitro-4-pyrrolidino-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23N3O6/c1-29-19-8-5-14(11-16(19)21(26)30-2)13-22-20(25)15-6-7-17(18(12-15)24(27)28)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25)