2-methoxy-5-nitro-4-nonyl-3-pyrrolidin-3-yl-benzamide

Systemtic Name: 2-methoxy-5-nitro-4-nonyl-3-pyrrolidin-3-yl-benzamide Openeye Name: 2-methoxy-5-nitro-4-nonyl-3-pyrrolidin-3-yl-benzamide CAS Name: 2-methoxy-5-nitro-4-nonyl-3-(3-pyrrolidinyl)benzamide IUPAC Name: 2-methoxy-5-nitro-4-nonyl-3-pyrrolidin-3-ylbenzamide Traditional Name: 2-methoxy-5-nitro-4-nonyl-3-pyrrolidin-3-yl-benzamide Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C(=C1C2CCNC2)OC)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C(=C1C2CCNC2)OC)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H33N3O4/c1-3-4-5-6-7-8-9-10-16-18(24(26)27)13-17(21(22)25)20(28-2)19(16)15-11-12-23-14-15/h13,15,23H,3-12,14H2,1-2H3,(H2,22,25)