(E)-2-acetamido-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid Formula: C12H10N2O7 MolecularWeight: 294.217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O7/c1-6(15)13-8(12(16)17)2-7-3-10-11(21-5-20-10)4-9(7)14(18)19/h2-4H,5H2,1H3,(H,13,15)(H,16,17)/b8-2+