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

Systemtic Name: ethyl 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-2-28-20(25)14-5-8-16(9-6-14)21-19(24)15-7-10-17(18(13-15)23(26)27)22-11-3-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,24)