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

Systemtic Name: methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethanoate Openeye Name: methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]acetic acid methyl ester Formula: C13H12N2O7 MolecularWeight: 308.24358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

COC(=O)CNC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H12N2O7/c1-20-13(17)6-14-12(16)3-2-8-4-10-11(22-7-21-10)5-9(8)15(18)19/h2-5H,6-7H2,1H3,(H,14,16)/b3-2+