N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2COC3(O2)CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC[C@H]2COC3(O2)CCCC3

InChI

InChI=1S/C16H20N2O5/c1-11-13(5-4-6-14(11)18(20)21)15(19)17-9-12-10-22-16(23-12)7-2-3-8-16/h4-6,12H,2-3,7-10H2,1H3,(H,17,19)/t12-/m0/s1