ethyl 3-[(6-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(6-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-morpholino-3-pyridyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(4-morpholinyl)-3-pyridinyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-morpholin-4-ylpyridin-3-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-morpholino-3-pyridyl)methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-2-30-20(26)16-9-15(10-17(11-16)24(27)28)19(25)22-13-14-3-4-18(21-12-14)23-5-7-29-8-6-23/h3-4,9-12H,2,5-8,13H2,1H3,(H,22,25)