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

Systemtic Name: ethyl 3-nitro-5-[[4-(phenylmethyl)morpholin-2-yl]methylcarbamoyl]benzoate Openeye Name: ethyl 3-[(4-benzylmorpholin-2-yl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[4-(phenylmethyl)-2-morpholinyl]methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylmorpholin-2-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-benzylmorpholin-2-yl)methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-2-30-22(27)18-10-17(11-19(12-18)25(28)29)21(26)23-13-20-15-24(8-9-31-20)14-16-6-4-3-5-7-16/h3-7,10-12,20H,2,8-9,13-15H2,1H3,(H,23,26)