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

Systemtic Name: 1-[3-nitro-4-[[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]amino]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[[(2S)-2-phenyl-2-pyrrolidin-1-yl-ethyl]amino]phenyl]ethanone CAS Name: 1-[3-nitro-4-[[(2S)-2-phenyl-2-(1-pyrrolidinyl)ethyl]amino]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[[(2S)-2-phenyl-2-pyrrolidino-ethyl]amino]phenyl]ethanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-15(24)17-9-10-18(19(13-17)23(25)26)21-14-20(22-11-5-6-12-22)16-7-3-2-4-8-16/h2-4,7-10,13,20-21H,5-6,11-12,14H2,1H3/t20-/m1/s1