5-chloranyl-2-methoxy-4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoic acid Traditional Name: 5-chloro-4-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]-2-methoxy-benzoic acid Formula: C22H20ClN3O8 MolecularWeight: 489.8625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O8/c1-34-17-11-15(14(23)10-13(17)22(30)31)24-18(27)8-3-2-4-9-25-20(28)12-6-5-7-16(26(32)33)19(12)21(25)29/h5-7,10-11H,2-4,8-9H2,1H3,(H,24,27)(H,30,31)