methyl 3-[(2-methyl-2-morpholin-4-yl-butyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-methyl-2-morpholin-4-yl-butyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methyl-2-morpholino-butyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-methyl-2-(4-morpholinyl)butyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-2-morpholin-4-ylbutyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-2-morpholino-butyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)N2CCOCC2

Isomeric SMILES

CCC(C)(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC)N2CCOCC2

InChI

InChI=1S/C18H25N3O6/c1-4-18(2,20-5-7-27-8-6-20)12-19-16(22)13-9-14(17(23)26-3)11-15(10-13)21(24)25/h9-11H,4-8,12H2,1-3H3,(H,19,22)