2-nitro-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-yl-aniline

Systemtic Name: 2-nitro-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-yl-aniline Openeye Name: 2-nitro-N-(3-pyridylmethyl)-5-pyrrolidin-1-yl-aniline CAS Name: 2-nitro-N-(3-pyridinylmethyl)-5-(1-pyrrolidinyl)aniline IUPAC Name: 2-nitro-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylaniline Traditional Name: (2-nitro-5-pyrrolidino-phenyl)-(3-pyridylmethyl)amine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C16H18N4O2/c21-20(22)16-6-5-14(19-8-1-2-9-19)10-15(16)18-12-13-4-3-7-17-11-13/h3-7,10-11,18H,1-2,8-9,12H2