(2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-3-nitro-propan-1-one

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-3-nitro-propan-1-one Openeye Name: (2S)-2-(benzotriazol-1-yl)-3-nitro-1-(p-tolyl)propan-1-one CAS Name: (2S)-2-(1-benzotriazolyl)-1-(4-methylphenyl)-3-nitro-1-propanone IUPAC Name: (2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-3-nitropropan-1-one Traditional Name: (2S)-2-(benzotriazol-1-yl)-3-nitro-1-(p-tolyl)propan-1-one Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14N4O3/c1-11-6-8-12(9-7-11)16(21)15(10-19(22)23)20-14-5-3-2-4-13(14)17-18-20/h2-9,15H,10H2,1H3/t15-/m0/s1