5-chloranyl-2-methoxy-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoic acid CAS Name: 5-chloro-2-methoxy-4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoic acid Traditional Name: 5-chloro-4-(1,3-diketo-4-nitro-isoindolin-2-yl)-2-methoxy-benzoic acid Formula: C16H9ClN2O7 MolecularWeight: 376.70486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H9ClN2O7/c1-26-12-6-11(9(17)5-8(12)16(22)23)18-14(20)7-3-2-4-10(19(24)25)13(7)15(18)21/h2-6H,1H3,(H,22,23)