4-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoic acid

Systemtic Name: 4-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoic acid Openeye Name: 4-[2-(ethylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoic acid CAS Name: 4-[1-(ethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid IUPAC Name: 4-[1-(ethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid Traditional Name: 4-[2-(ethylamino)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C(C)OC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-3-13-11(15)7(2)20-10-5-4-8(12(16)17)6-9(10)14(18)19/h4-7H,3H2,1-2H3,(H,13,15)(H,16,17)