ethyl 2-ethanoyl-6-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]-3-oxidanyl-benzoate

Systemtic Name: ethyl 2-ethanoyl-6-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]-3-oxidanyl-benzoate Openeye Name: ethyl 2-acetyl-3-hydroxy-6-(5-methyl-7-nitro-indan-4-yl)oxy-benzoate CAS Name: 2-acetyl-3-hydroxy-6-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-hydroxy-6-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]benzoate Traditional Name: 2-acetyl-3-hydroxy-6-(5-methyl-7-nitro-indan-4-yl)oxy-benzoic acid ethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1C(=O)C)O)OC2=C3CCCC3=C(C=C2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1C(=O)C)O)OC2=C3CCCC3=C(C=C2C)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-4-28-21(25)19-17(9-8-16(24)18(19)12(3)23)29-20-11(2)10-15(22(26)27)13-6-5-7-14(13)20/h8-10,24H,4-7H2,1-3H3