N-[(4-tert-butylphenyl)methyl]-4-methyl-2-[(2-nitrophenyl)-prop-2-enyl-amino]pentanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-methyl-2-[(2-nitrophenyl)-prop-2-enyl-amino]pentanamide Openeye Name: 2-(N-allyl-2-nitro-anilino)-N-[(4-tert-butylphenyl)methyl]-4-methyl-pentanamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-methyl-2-(2-nitro-N-prop-2-enylanilino)pentanamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-methyl-2-(2-nitro-N-prop-2-enylanilino)pentanamide Traditional Name: 2-(N-allyl-2-nitro-anilino)-N-(4-tert-butylbenzyl)-4-methyl-valeramide Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=C(C=C1)C(C)(C)C)N(CC=C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC=C(C=C1)C(C)(C)C)N(CC=C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C26H35N3O3/c1-7-16-28(22-10-8-9-11-23(22)29(31)32)24(17-19(2)3)25(30)27-18-20-12-14-21(15-13-20)26(4,5)6/h7-15,19,24H,1,16-18H2,2-6H3,(H,27,30)