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

Systemtic Name: methyl 5-chloranyl-2-methoxy-4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: methyl 5-chloro-2-methoxy-4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 5-chloro-2-methoxy-4-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-methoxy-4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 5-chloro-4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-2-methoxy-benzoic acid methyl ester Formula: C20H16ClN3O8 MolecularWeight: 461.80934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O8/c1-31-15-9-13(12(21)8-11(15)20(28)32-2)22-16(25)6-7-23-18(26)10-4-3-5-14(24(29)30)17(10)19(23)27/h3-5,8-9H,6-7H2,1-2H3,(H,22,25)