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

Systemtic Name: methyl 2-methyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanoate Openeye Name: methyl 2-methyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanoate CAS Name: 2-methyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanoate Traditional Name: 2-methyl-2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]valeric acid methyl ester Formula: C17H20N2O7 MolecularWeight: 364.3499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7/c1-4-7-17(2,16(21)24-3)18-15(20)6-5-11-8-13-14(26-10-25-13)9-12(11)19(22)23/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,20)/b6-5+