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

Systemtic Name: 5-chloranyl-2-methoxy-4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 5-chloro-4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-2-methoxy-benzoic acid Formula: C19H14ClN3O8 MolecularWeight: 447.78276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O8/c1-31-14-8-12(11(20)7-10(14)19(27)28)21-15(24)5-6-22-17(25)9-3-2-4-13(23(29)30)16(9)18(22)26/h2-4,7-8H,5-6H2,1H3,(H,21,24)(H,27,28)