methyl 3-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[6-(2,6-dimethyl-4-morpholinyl)-3-pyridinyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[6-(2,6-dimethylmorpholino)-3-pyridyl]methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H24N4O6/c1-13-11-24(12-14(2)31-13)19-5-4-15(9-22-19)10-23-20(26)16-6-17(21(27)30-3)8-18(7-16)25(28)29/h4-9,13-14H,10-12H2,1-3H3,(H,23,26)