(E)-3-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-amino-1-methyl-2-oxo-ethoxy)-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-amino-2-keto-1-methyl-ethoxy)-5-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)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

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

InChI

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