(E)-N-[(1S,2S)-2-methylcyclohexyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[(1S,2S)-2-methylcyclohexyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[(1S,2S)-2-methylcyclohexyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[(1S,2S)-2-methylcyclohexyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[(1S,2S)-2-methylcyclohexyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[(1S,2S)-2-methylcyclohexyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H20N2O5/c1-11-4-2-3-5-13(11)18-17(20)7-6-12-8-15-16(24-10-23-15)9-14(12)19(21)22/h6-9,11,13H,2-5,10H2,1H3,(H,18,20)/b7-6+/t11-,13-/m0/s1