N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[(8S)-6,9-dioxaspiro[4.4]nonan-8-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-11-4-5-12(8-14(11)18(20)21)15(19)17-9-13-10-22-16(23-13)6-2-3-7-16/h4-5,8,13H,2-3,6-7,9-10H2,1H3,(H,17,19)/t13-/m0/s1