4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde

Systemtic Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-28-15-6-8-19(29-2)16(11-15)17-4-3-9-22(17)21(25)13-30-20-7-5-14(12-24)10-18(20)23(26)27/h5-8,10-12,17H,3-4,9,13H2,1-2H3/t17-/m1/s1