2-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[2-(cyclopropylamino)-2-oxoethoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethoxy]-5-nitrobenzoic acid Traditional Name: 2-[2-(cyclopropylamino)-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N2O6/c15-11(13-7-1-2-7)6-20-10-4-3-8(14(18)19)5-9(10)12(16)17/h3-5,7H,1-2,6H2,(H,13,15)(H,16,17)