[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-3-[(4-nitrophenyl)methylideneamino]prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-3-[(4-nitrophenyl)methylideneamino]prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-3-[(4-nitrophenyl)methyleneamino]prop-2-enoate CAS Name: (E)-3-[(4-nitrophenyl)methylideneamino]-2-propenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-[(4-nitrophenyl)methylideneamino]prop-2-enoate Traditional Name: (E)-3-[(4-nitrobenzylidene)amino]acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CN=CC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/N=CC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H26N2O4/c1-14(2)18-9-4-15(3)12-19(18)26-20(23)10-11-21-13-16-5-7-17(8-6-16)22(24)25/h5-8,10-11,13-15,18-19H,4,9,12H2,1-3H3/b11-10+,21-13?/t15-,18+,19-/m1/s1