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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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