5-methoxy-4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-2-nitro-benzoic acid

Systemtic Name: 5-methoxy-4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-2-nitro-benzoic acid Openeye Name: 5-methoxy-4-[1-methyl-2-(methylamino)-2-oxo-ethoxy]-2-nitro-benzoic acid CAS Name: 5-methoxy-4-[1-(methylamino)-1-oxopropan-2-yl]oxy-2-nitrobenzoic acid IUPAC Name: 5-methoxy-4-[1-(methylamino)-1-oxopropan-2-yl]oxy-2-nitrobenzoic acid Traditional Name: 4-[2-keto-1-methyl-2-(methylamino)ethoxy]-5-methoxy-2-nitro-benzoic acid Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O7/c1-6(11(15)13-2)21-10-5-8(14(18)19)7(12(16)17)4-9(10)20-3/h4-6H,1-3H3,(H,13,15)(H,16,17)