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

Systemtic Name: (E)-3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-1-methyl-2-oxo-ethoxy)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-amino-1-oxopropan-2-yl)oxy-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1-amino-1-oxopropan-2-yl)oxy-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-1-methyl-ethoxy)-3-nitro-phenyl]acrylic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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