4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-benzamide

Systemtic Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-benzamide Openeye Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-nitrobenzamide Traditional Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]-3-nitro-benzamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H24N4O4/c1-28-16-7-4-14(5-8-16)19(23-10-2-3-11-23)13-22-17-9-6-15(20(21)25)12-18(17)24(26)27/h4-9,12,19,22H,2-3,10-11,13H2,1H3,(H2,21,25)/t19-/m0/s1