N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-16-7-3-4-8-20(16)28-14-13-22(2)21(25)17-9-10-18(19(15-17)24(26)27)23-11-5-6-12-23/h3-4,7-10,15H,5-6,11-14H2,1-2H3