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

Systemtic Name: methyl 4-[2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]ethyl]benzoate CAS Name: 4-[2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(3-nitro-4-pyrrolidino-benzoyl)amino]ethyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)16-6-4-15(5-7-16)10-11-22-20(25)17-8-9-18(19(14-17)24(27)28)23-12-2-3-13-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,25)