4-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoic acid Openeye Name: 4-[2-(cyclopropylamino)-2-oxo-ethoxy]-3-nitro-benzoic acid CAS Name: 4-[2-(cyclopropylamino)-2-oxoethoxy]-3-nitrobenzoic acid IUPAC Name: 4-[2-(cyclopropylamino)-2-oxoethoxy]-3-nitrobenzoic acid Traditional Name: 4-[2-(cyclopropylamino)-2-keto-ethoxy]-3-nitro-benzoic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c15-11(13-8-2-3-8)6-20-10-4-1-7(12(16)17)5-9(10)14(18)19/h1,4-5,8H,2-3,6H2,(H,13,15)(H,16,17)