2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]-5-nitro-benzonitrile Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N3CCCC3

InChI

InChI=1S/C20H22N4O3/c1-27-18-7-4-15(5-8-18)20(23-10-2-3-11-23)14-22-19-9-6-17(24(25)26)12-16(19)13-21/h4-9,12,20,22H,2-3,10-11,14H2,1H3