4-(2-methoxyethylamino)-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(2-methoxyethylamino)-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(2-methoxyethylamino)-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(2-methoxyethylamino)-3-nitro-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(2-methoxyethylamino)-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(2-methoxyethylamino)-3-nitro-N-[2-(pyrrolidinomethyl)benzyl]benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-30-13-10-23-20-9-8-17(14-21(20)26(28)29)22(27)24-15-18-6-2-3-7-19(18)16-25-11-4-5-12-25/h2-3,6-9,14,23H,4-5,10-13,15-16H2,1H3,(H,24,27)