(4S)-4-(benzotriazol-1-yl)-4-(2-nitrophenyl)butan-2-one

Systemtic Name: (4S)-4-(benzotriazol-1-yl)-4-(2-nitrophenyl)butan-2-one Openeye Name: (4S)-4-(benzotriazol-1-yl)-4-(2-nitrophenyl)butan-2-one CAS Name: (4S)-4-(1-benzotriazolyl)-4-(2-nitrophenyl)-2-butanone IUPAC Name: (4S)-4-(benzotriazol-1-yl)-4-(2-nitrophenyl)butan-2-one Traditional Name: (4S)-4-(benzotriazol-1-yl)-4-(2-nitrophenyl)butan-2-one Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3/c1-11(21)10-16(12-6-2-4-8-14(12)20(22)23)19-15-9-5-3-7-13(15)17-18-19/h2-9,16H,10H2,1H3/t16-/m0/s1