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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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