(E)-3-[2-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-amino-2-methyl-3-oxo-propoxy)-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-amino-2-methyl-3-oxopropoxy)-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-amino-2-methyl-3-oxopropoxy)-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-amino-3-keto-2-methyl-propoxy)-5-nitro-phenyl]acrylic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-8(13(14)18)7-21-11-4-3-10(15(19)20)6-9(11)2-5-12(16)17/h2-6,8H,7H2,1H3,(H2,14,18)(H,16,17)/b5-2+