(3S)-1-(4-nitrophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: (3S)-1-(4-nitrophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: (3S)-1-(4-nitrophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: (3S)-1-(4-nitrophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: (3S)-1-(4-nitrophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: (3S)-1-(4-nitrophenyl)-3-phenyl-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3

InChI

InChI=1S/C17H14N4O3/c22-17(14-6-8-15(9-7-14)21(23)24)10-16(20-12-18-11-19-20)13-4-2-1-3-5-13/h1-9,11-12,16H,10H2/t16-/m0/s1