methyl 3-methyl-2-[2-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[2-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxyethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]pentanoate CAS Name: 3-methyl-2-[[2-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxyacetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]oxyacetyl]amino]valeric acid methyl ester Formula: C19H22N2O9 MolecularWeight: 422.38598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C19H22N2O9/c1-4-11(2)18(19(24)27-3)20-16(22)9-28-17(23)6-5-12-7-14-15(30-10-29-14)8-13(12)21(25)26/h5-8,11,18H,4,9-10H2,1-3H3,(H,20,22)/b6-5+