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

Systemtic Name: 4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoic acid Openeye Name: 4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoic acid CAS Name: 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid IUPAC Name: 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid Traditional Name: 4-[2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]-3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-7(12(16)14-9-3-4-9)21-11-5-2-8(13(17)18)6-10(11)15(19)20/h2,5-7,9H,3-4H2,1H3,(H,14,16)(H,17,18)