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

Systemtic Name: 1-[3-nitro-4-[[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-nitro-phenyl]ethanone Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2CCN(C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N[C@H]2CCN(C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c1-14(23)16-7-8-18(19(11-16)22(24)25)20-17-9-10-21(13-17)12-15-5-3-2-4-6-15/h2-8,11,17,20H,9-10,12-13H2,1H3/t17-/m0/s1