(E)-3-[4-[2-(methylamino)-2-oxidanylidene-ethoxy]-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(methylamino)-2-oxidanylidene-ethoxy]-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(methylamino)-2-oxo-ethoxy]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(methylamino)-2-oxoethoxy]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(methylamino)-2-oxoethoxy]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-keto-2-(methylamino)ethoxy]-3-nitro-phenyl]acrylic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=C(C=C1)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC1=C(C=C(C=C1)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-13-11(15)7-20-10-4-2-8(3-5-12(16)17)6-9(10)14(18)19/h2-6H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+