methyl 3-[[4-(2-methylpropyl)morpholin-2-yl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(2-methylpropyl)morpholin-2-yl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-isobutylmorpholin-2-yl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2-methylpropyl)-2-morpholinyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methylpropyl)morpholin-2-yl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-isobutylmorpholin-2-yl)methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCOC(C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)CN1CCOC(C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H25N3O6/c1-12(2)10-20-4-5-27-16(11-20)9-19-17(22)13-6-14(18(23)26-3)8-15(7-13)21(24)25/h6-8,12,16H,4-5,9-11H2,1-3H3,(H,19,22)