[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H21N3O7/c1-22(20(12-21)7-3-2-4-8-20)18(24)11-28-19(25)6-5-14-9-16-17(30-13-29-16)10-15(14)23(26)27/h5-6,9-10H,2-4,7-8,11,13H2,1H3/b6-5+