4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitro-benzamide

Systemtic Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitro-benzamide Openeye Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitro-benzamide CAS Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitrobenzamide IUPAC Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitrobenzamide Traditional Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitro-benzamide Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O5/c1-2-3-4-5-6-11-22-20(25)17-7-8-18(19(16-17)24(26)27)23-12-9-21(10-13-23)28-14-15-29-21/h7-8,16H,2-6,9-15H2,1H3,(H,22,25)