(E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)-3-nitro-phenyl]prop-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])OCCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c13-11(15)5-6-20-10-3-1-8(2-4-12(16)17)7-9(10)14(18)19/h1-4,7H,5-6H2,(H2,13,15)(H,16,17)/b4-2+