1-(4-nitrophenyl)-2-oxidanylidene-7-[[(3R)-pyrrolidin-3-yl]amino]quinoline-3-carbonitrile

Systemtic Name: 1-(4-nitrophenyl)-2-oxidanylidene-7-[[(3R)-pyrrolidin-3-yl]amino]quinoline-3-carbonitrile Openeye Name: 1-(4-nitrophenyl)-2-oxo-7-[[(3R)-pyrrolidin-3-yl]amino]quinoline-3-carbonitrile CAS Name: 1-(4-nitrophenyl)-2-oxo-7-[[(3R)-3-pyrrolidinyl]amino]-3-quinolinecarbonitrile IUPAC Name: 1-(4-nitrophenyl)-2-oxo-7-[[(3R)-pyrrolidin-3-yl]amino]quinoline-3-carbonitrile Traditional Name: 2-keto-1-(4-nitrophenyl)-7-[[(3R)-pyrrolidin-3-yl]amino]quinoline-3-carbonitrile Formula: C20H17N5O3 MolecularWeight: 375.38068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC2=CC3=C(C=C2)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CNC[C@@H]1NC2=CC3=C(C=C2)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17N5O3/c21-11-14-9-13-1-2-15(23-16-7-8-22-12-16)10-19(13)24(20(14)26)17-3-5-18(6-4-17)25(27)28/h1-6,9-10,16,22-23H,7-8,12H2/t16-/m1/s1