[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl] ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7/c1-12(10-25-2)18-16(21)11-27-17(22)13-3-4-14(15(9-13)20(23)24)19-5-7-26-8-6-19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,21)