2,4-bis(methylamino)-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide

Systemtic Name: 2,4-bis(methylamino)-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide Openeye Name: 2,4-bis(methylamino)-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide CAS Name: 2,4-bis(methylamino)-5-nitro-6-nonyl-3-(3-pyrrolidinyl)benzamide IUPAC Name: 2,4-bis(methylamino)-5-nitro-6-nonyl-3-pyrrolidin-3-ylbenzamide Traditional Name: 2,4-bis(methylamino)-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide Formula: C22H37N5O3 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1[N+](=O)[O-])NC)C2CCNC2)NC)C(=O)N

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1[N+](=O)[O-])NC)C2CCNC2)NC)C(=O)N

InChI

InChI=1S/C22H37N5O3/c1-4-5-6-7-8-9-10-11-16-18(22(23)28)19(24-2)17(15-12-13-26-14-15)20(25-3)21(16)27(29)30/h15,24-26H,4-14H2,1-3H3,(H2,23,28)