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

Systemtic Name: methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[2-(3-methoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H20N2O6/c1-27-17-6-3-5-13(12-17)18-7-4-8-21(18)19(23)14-9-15(20(24)28-2)11-16(10-14)22(25)26/h3,5-6,9-12,18H,4,7-8H2,1-2H3