[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6/c1-23(2)18-8-3-15(13-19(18)25(28)29)21(27)31-14-20(26)22-16-4-6-17(7-5-16)24-9-11-30-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)