(2-methoxy-5-nitro-phenyl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H21NO6/c1-27-20-9-7-18(22(25)26)12-17(20)13-28-21(24)10-8-19(23)16-6-5-14-3-2-4-15(14)11-16/h5-7,9,11-12H,2-4,8,10,13H2,1H3