[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7/c1-15(18-13-17(31-2)7-9-21(18)32-3)24-22(27)14-33-23(28)16-6-8-19(20(12-16)26(29)30)25-10-4-5-11-25/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,24,27)