(3S)-1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one

Systemtic Name: (3S)-1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one Openeye Name: (3S)-1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-(4-nitroanilino)propan-1-one CAS Name: (3S)-1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-(4-nitroanilino)-1-propanone IUPAC Name: (3S)-1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-(4-nitroanilino)propan-1-one Traditional Name: (3S)-1-(4-tert-butylphenyl)-3-(4-ethylphenyl)-3-(4-nitroanilino)propan-1-one Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(C)(C)C)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)C(C)(C)C)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H30N2O3/c1-5-19-6-8-20(9-7-19)25(28-23-14-16-24(17-15-23)29(31)32)18-26(30)21-10-12-22(13-11-21)27(2,3)4/h6-17,25,28H,5,18H2,1-4H3/t25-/m0/s1