ethyl 3-[(2-morpholin-4-ylpyridin-4-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-morpholin-4-ylpyridin-4-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2-morpholino-4-pyridyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-morpholinyl)-4-pyridinyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-morpholin-4-ylpyridin-4-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-morpholino-4-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=CC(=NC=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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