N-[(2S)-1-[(5-tert-butyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(5-tert-butyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(5-tert-butyl-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(5-tert-butyl-2-methoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(5-tert-butyl-2-methoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(5-tert-butyl-2-methoxy-anilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(C)(C)C)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)C(C)(C)C)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-13(22-20(26)14-7-6-8-16(11-14)24(27)28)19(25)23-17-12-15(21(2,3)4)9-10-18(17)29-5/h6-13H,1-5H3,(H,22,26)(H,23,25)/t13-/m0/s1