3-methylbutyl 1-(4-ethoxy-1-nitro-4-oxidanylidene-butan-2-yl)-3-phenylmethoxy-cyclobutane-1-carboxylate

Systemtic Name: 3-methylbutyl 1-(4-ethoxy-1-nitro-4-oxidanylidene-butan-2-yl)-3-phenylmethoxy-cyclobutane-1-carboxylate Openeye Name: isopentyl 3-benzyloxy-1-[3-ethoxy-1-(nitromethyl)-3-oxo-propyl]cyclobutanecarboxylate CAS Name: 1-(4-ethoxy-1-nitro-4-oxobutan-2-yl)-3-phenylmethoxy-1-cyclobutanecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 1-(4-ethoxy-1-nitro-4-oxobutan-2-yl)-3-phenylmethoxycyclobutane-1-carboxylate Traditional Name: 3-benzoxy-1-[3-ethoxy-3-keto-1-(nitromethyl)propyl]cyclobutanecarboxylic acid isoamyl ester Formula: C23H33NO7 MolecularWeight: 435.51062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C[N+](=O)[O-])C1(CC(C1)OCC2=CC=CC=C2)C(=O)OCCC(C)C

Isomeric SMILES

CCOC(=O)CC(C[N+](=O)[O-])C1(CC(C1)OCC2=CC=CC=C2)C(=O)OCCC(C)C

InChI

InChI=1S/C23H33NO7/c1-4-29-21(25)12-19(15-24(27)28)23(22(26)30-11-10-17(2)3)13-20(14-23)31-16-18-8-6-5-7-9-18/h5-9,17,19-20H,4,10-16H2,1-3H3