(4-chloranyl-3-methyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-chloro-3-methyl-phenyl) 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (4-chloro-3-methyl-phenyl) ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O6/c1-10-9-11(5-6-13(10)19)27-15(22)7-8-20-17(23)12-3-2-4-14(21(25)26)16(12)18(20)24/h2-6,9H,7-8H2,1H3