2-nitro-N-[[9-(phenylmethyl)-1,4-dioxa-9-azaspiro[4.5]decan-8-yl]methyl]aniline

Systemtic Name: 2-nitro-N-[[9-(phenylmethyl)-1,4-dioxa-9-azaspiro[4.5]decan-8-yl]methyl]aniline Openeye Name: N-[(9-benzyl-1,4-dioxa-9-azaspiro[4.5]decan-8-yl)methyl]-2-nitro-aniline CAS Name: 2-nitro-N-[[9-(phenylmethyl)-1,4-dioxa-9-azaspiro[4.5]decan-8-yl]methyl]aniline IUPAC Name: N-[(9-benzyl-1,4-dioxa-9-azaspiro[4.5]decan-8-yl)methyl]-2-nitroaniline Traditional Name: (9-benzyl-1,4-dioxa-9-azaspiro[4.5]decan-8-yl)methyl-(2-nitrophenyl)amine Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CN(C1CNC3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4)OCCO2

Isomeric SMILES

C1CC2(CN(C1CNC3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4)OCCO2

InChI

InChI=1S/C21H25N3O4/c25-24(26)20-9-5-4-8-19(20)22-14-18-10-11-21(27-12-13-28-21)16-23(18)15-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2