4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3-nitro-benzoic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3-nitro-benzoic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propoxy)-3-nitro-benzoic acid CAS Name: 4-(3-amino-2-methyl-3-oxopropoxy)-3-nitrobenzoic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropoxy)-3-nitrobenzoic acid Traditional Name: 4-(3-amino-3-keto-2-methyl-propoxy)-3-nitro-benzoic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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