(phenylmethyl) 3-nitro-4-(4-oxidanylidenebutyl)benzoate

Systemtic Name: (phenylmethyl) 3-nitro-4-(4-oxidanylidenebutyl)benzoate Openeye Name: benzyl 3-nitro-4-(4-oxobutyl)benzoate CAS Name: 3-nitro-4-(4-oxobutyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitro-4-(4-oxobutyl)benzoate Traditional Name: 4-(4-ketobutyl)-3-nitro-benzoic acid benzyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)CCCC=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)CCCC=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5/c20-11-5-4-8-15-9-10-16(12-17(15)19(22)23)18(21)24-13-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2