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

Systemtic Name: N-[3-[(5-tert-butyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(5-tert-butyl-2-methoxy-anilino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(5-tert-butyl-2-methoxyanilino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(5-tert-butyl-2-methoxyanilino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(5-tert-butyl-2-methoxy-anilino)-3-keto-propyl]-4-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-21(2,3)15-7-10-18(29-4)17(13-15)23-19(25)11-12-22-20(26)14-5-8-16(9-6-14)24(27)28/h5-10,13H,11-12H2,1-4H3,(H,22,26)(H,23,25)