methyl 2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-keto-2-morpholino-ethyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C18H24N4O6/c1-27-18(24)15-12-14(22(25)26)2-3-16(15)20-6-4-19(5-7-20)13-17(23)21-8-10-28-11-9-21/h2-3,12H,4-11,13H2,1H3