[2-[methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[methyl-(2-morpholino-2-oxo-ethyl)amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[methyl-[2-(4-morpholinyl)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[(2-keto-2-morpholino-ethyl)-methyl-amino]ethyl] ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C)CC(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C)CC(=O)N2CCOCC2

InChI

InChI=1S/C17H21N3O7/c1-12-13(4-3-5-14(12)20(24)25)17(23)27-11-16(22)18(2)10-15(21)19-6-8-26-9-7-19/h3-5H,6-11H2,1-2H3