ethyl 3-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(1-morpholinocyclohexyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(4-morpholinyl)cyclohexyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1-morpholinocyclohexyl)methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2(CCCCC2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2(CCCCC2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O6/c1-2-30-20(26)17-12-16(13-18(14-17)24(27)28)19(25)22-15-21(6-4-3-5-7-21)23-8-10-29-11-9-23/h12-14H,2-11,15H2,1H3,(H,22,25)