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

Systemtic Name: 1-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]-3-nitro-phenyl]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-15(25)17-7-10-19(20(13-17)24(26)27)22-14-21(23-11-3-4-12-23)16-5-8-18(28-2)9-6-16/h5-10,13,21-22H,3-4,11-12,14H2,1-2H3/t21-/m1/s1