(2-methoxy-5-nitro-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O7/c1-28-17-9-8-14(22(26)27)11-13(17)12-29-18(23)7-4-10-21-19(24)15-5-2-3-6-16(15)20(21)25/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3