4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[[1-(4-tert-butylphenyl)-2-methyl-propyl]amino]methyl]-3-nitro-benzamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C(C)(C)C)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O3/c1-14(2)20(15-8-10-18(11-9-15)22(3,4)5)24-13-17-7-6-16(21(23)26)12-19(17)25(27)28/h6-12,14,20,24H,13H2,1-5H3,(H2,23,26)