1-[3-nitro-4-[[(1R)-1-phenylbutyl]amino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[(1R)-1-phenylbutyl]amino]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[[(1R)-1-phenylbutyl]amino]phenyl]ethanone CAS Name: 1-[3-nitro-4-[[(1R)-1-phenylbutyl]amino]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[(1R)-1-phenylbutyl]amino]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[[(1R)-1-phenylbutyl]amino]phenyl]ethanone Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3/c1-3-7-16(14-8-5-4-6-9-14)19-17-11-10-15(13(2)21)12-18(17)20(22)23/h4-6,8-12,16,19H,3,7H2,1-2H3/t16-/m1/s1