[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H23N3O8/c1-2-32-21(27)16-5-3-4-6-18(16)23-20(26)14-33-22(28)17-13-15(25(29)30)7-8-19(17)24-9-11-31-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)