[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H29N3O6/c26-20(16-31-21(27)9-8-18-6-2-3-7-19(18)25(28)29)23-17-22(10-4-1-5-11-22)24-12-14-30-15-13-24/h2-3,6-9H,1,4-5,10-17H2,(H,23,26)/b9-8+