N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-methyl-4-nitro-benzamide Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2COC3(O2)CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@H]2COC3(O2)CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-12-9-13(5-6-15(12)19(21)22)16(20)18-10-14-11-23-17(24-14)7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,18,20)/t14-/m0/s1