(5-chloranyl-2-methoxy-phenyl)methyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)acetic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetic acid (5-chloro-2-methoxy-benzyl) ester Formula: C18H13ClN2O7 MolecularWeight: 404.75802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O7/c1-27-15-5-2-11(19)6-10(15)9-28-16(22)8-20-17(23)13-4-3-12(21(25)26)7-14(13)18(20)24/h2-7H,8-9H2,1H3