N-[(2,4-dimethylphenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2,4-dimethylbenzyl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O3/c1-14-5-6-17(15(2)11-14)13-21-20(24)16-7-8-18(19(12-16)23(25)26)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,24)