3,5-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-nitro-cyclohexan-1-one

Systemtic Name: 3,5-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-nitro-cyclohexan-1-one Openeye Name: 3,5-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-nitro-cyclohexanone CAS Name: 3,5-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-nitro-1-cyclohexanone IUPAC Name: 3,5-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-nitrocyclohexan-1-one Traditional Name: 3,5-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-nitro-cyclohexanone Formula: C30H37NO7 MolecularWeight: 523.61728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)C2CC(=O)CC(C2[N+](=O)[O-])C3=CC(=C(C=C3)OCC=C(C)C)OC)OC)C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1)C2CC(=O)CC(C2[N+](=O)[O-])C3=CC(=C(C=C3)OCC=C(C)C)OC)OC)C

InChI

InChI=1S/C30H37NO7/c1-19(2)11-13-37-26-9-7-21(15-28(26)35-5)24-17-23(32)18-25(30(24)31(33)34)22-8-10-27(29(16-22)36-6)38-14-12-20(3)4/h7-12,15-16,24-25,30H,13-14,17-18H2,1-6H3