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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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