(E)-3-[4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-methyl-2-(methylamino)-2-oxo-ethoxy]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-(methylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(methylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-keto-1-methyl-2-(methylamino)ethoxy]-3-nitro-phenyl]acrylic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC1=C(C=C(C=C1)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC)OC1=C(C=C(C=C1)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-8(13(18)14-2)21-11-5-3-9(4-6-12(16)17)7-10(11)15(19)20/h3-8H,1-2H3,(H,14,18)(H,16,17)/b6-4+