N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-4-morpholino-3-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-14-4-3-5-15(2)20(14)23-19(26)13-22-21(27)16-6-7-17(18(12-16)25(28)29)24-8-10-30-11-9-24/h3-7,12H,8-11,13H2,1-2H3,(H,22,27)(H,23,26)