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

Systemtic Name: methyl 3-[(2-methyl-2-morpholin-4-yl-propyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methyl-2-morpholino-propyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-methyl-2-(4-morpholinyl)propyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-2-morpholino-propyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6/c1-17(2,19-4-6-26-7-5-19)11-18-15(21)12-8-13(16(22)25-3)10-14(9-12)20(23)24/h8-10H,4-7,11H2,1-3H3,(H,18,21)