1-[3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]phenyl]ethanone Openeye Name: 1-[4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]-3-nitro-phenyl]ethanone Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11(19)13-7-8-14(15(9-13)18(21)22)17-10-16(20)12-5-3-2-4-6-12/h2-9,16-17,20H,10H2,1H3/t16-/m1/s1