(1S,2S)-2-(4-tert-butylphenyl)-N-(2-methyl-5-nitro-phenyl)cyclopropane-1-carboxamide

Systemtic Name: (1S,2S)-2-(4-tert-butylphenyl)-N-(2-methyl-5-nitro-phenyl)cyclopropane-1-carboxamide Openeye Name: (1S,2S)-2-(4-tert-butylphenyl)-N-(2-methyl-5-nitro-phenyl)cyclopropanecarboxamide CAS Name: (1S,2S)-2-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-2-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide Traditional Name: (1S,2S)-2-(4-tert-butylphenyl)-N-(2-methyl-5-nitro-phenyl)cyclopropanecarboxamide Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CC2C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@H]2C[C@@H]2C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N2O3/c1-13-5-10-16(23(25)26)11-19(13)22-20(24)18-12-17(18)14-6-8-15(9-7-14)21(2,3)4/h5-11,17-18H,12H2,1-4H3,(H,22,24)/t17-,18+/m1/s1