ethyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-yl-ethyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(2-phenyl-2-pyrrolidin-1-ylethyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(2-phenyl-2-pyrrolidino-ethyl)carbamoyl]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-2-30-22(27)18-12-17(13-19(14-18)25(28)29)21(26)23-15-20(24-10-6-7-11-24)16-8-4-3-5-9-16/h3-5,8-9,12-14,20H,2,6-7,10-11,15H2,1H3,(H,23,26)