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

Systemtic Name: methyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2Cl)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O5/c1-30-21(27)15-10-14(11-16(12-15)25(28)29)20(26)23-13-19(24-8-4-5-9-24)17-6-2-3-7-18(17)22/h2-3,6-7,10-12,19H,4-5,8-9,13H2,1H3,(H,23,26)