1-imidazol-1-yl-3,3-dimethyl-2-[(4-nitrophenyl)methyl]butan-1-one

Systemtic Name: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-nitrophenyl)methyl]butan-1-one Openeye Name: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-nitrophenyl)methyl]butan-1-one CAS Name: 1-(1-imidazolyl)-3,3-dimethyl-2-[(4-nitrophenyl)methyl]-1-butanone IUPAC Name: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-nitrophenyl)methyl]butan-1-one Traditional Name: 1-imidazol-1-yl-3,3-dimethyl-2-(4-nitrobenzyl)butan-1-one Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2C=CN=C2

Isomeric SMILES

CC(C)(C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2C=CN=C2

InChI

InChI=1S/C16H19N3O3/c1-16(2,3)14(15(20)18-9-8-17-11-18)10-12-4-6-13(7-5-12)19(21)22/h4-9,11,14H,10H2,1-3H3