N-[[2-(methoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(methoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(methoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[2-(methoxymethyl)phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(methoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(methoxymethyl)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-27-14-17-7-3-2-6-16(17)13-21-20(24)15-8-9-18(19(12-15)23(25)26)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,21,24)