2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]-5-nitro-benzonitrile Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C19H19N3O4/c1-25-15-6-7-16(19(11-15)26-2)18-4-3-9-21(18)17-8-5-14(22(23)24)10-13(17)12-20/h5-8,10-11,18H,3-4,9H2,1-2H3/t18-/m1/s1