methyl 4-[[methyl-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]methyl]benzoate CAS Name: 4-[[methyl-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[methyl-(3-nitro-4-pyrrolidino-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-22(14-15-5-7-16(8-6-15)21(26)29-2)20(25)17-9-10-18(19(13-17)24(27)28)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3