N-[(4-cyanophenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-cyanophenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-cyanobenzyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c20-12-14-3-5-15(6-4-14)13-21-19(24)16-7-8-17(18(11-16)23(25)26)22-9-1-2-10-22/h3-8,11H,1-2,9-10,13H2,(H,21,24)