4-tert-butyl-N-[3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(2-methyl-5-nitro-anilino)-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-(2-methyl-5-nitroanilino)-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(2-methyl-5-nitroanilino)-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-(2-methyl-5-nitro-anilino)propyl]benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-14-5-10-17(24(27)28)13-18(14)23-19(25)11-12-22-20(26)15-6-8-16(9-7-15)21(2,3)4/h5-10,13H,11-12H2,1-4H3,(H,22,26)(H,23,25)