ethyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[2-(4-methoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-3-29-21(25)16-11-15(12-17(13-16)23(26)27)20(24)22-10-4-5-19(22)14-6-8-18(28-2)9-7-14/h6-9,11-13,19H,3-5,10H2,1-2H3