N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-imidazol-1-yl-N-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-imidazol-1-yl-N-methyl-3-nitro-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-4-imidazol-1-yl-N-methyl-3-nitro-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(1-imidazolyl)-N-methyl-3-nitrobenzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-imidazol-1-yl-N-methyl-3-nitrobenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-4-imidazol-1-yl-N-methyl-3-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-14-5-4-6-15(2)20(14)23-19(27)12-24(3)21(28)16-7-8-17(18(11-16)26(29)30)25-10-9-22-13-25/h4-11,13H,12H2,1-3H3,(H,23,27)