2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-5-nitro-benzoic acid

Systemtic Name: 2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-5-nitro-benzoic acid Openeye Name: 2-[2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-5-nitrobenzoic acid IUPAC Name: 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-5-nitrobenzoic acid Traditional Name: 2-[2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]-5-nitro-benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N2O6/c1-7(12(16)14-8-2-3-8)21-11-5-4-9(15(19)20)6-10(11)13(17)18/h4-8H,2-3H2,1H3,(H,14,16)(H,17,18)