2-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-5-nitro-benzoic acid

Systemtic Name: 2-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-5-nitro-benzoic acid Openeye Name: 2-(3-amino-2-methyl-3-oxo-propoxy)-5-nitro-benzoic acid CAS Name: 2-(3-amino-2-methyl-3-oxopropoxy)-5-nitrobenzoic acid IUPAC Name: 2-(3-amino-2-methyl-3-oxopropoxy)-5-nitrobenzoic acid Traditional Name: 2-(3-amino-3-keto-2-methyl-propoxy)-5-nitro-benzoic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-6(10(12)14)5-19-9-3-2-7(13(17)18)4-8(9)11(15)16/h2-4,6H,5H2,1H3,(H2,12,14)(H,15,16)