1-(4-nitrophenyl)-2-oxidanylidene-7-(pyrrolidin-3-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 1-(4-nitrophenyl)-2-oxidanylidene-7-(pyrrolidin-3-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 1-(4-nitrophenyl)-2-oxo-7-(pyrrolidin-3-ylmethylamino)quinoline-3-carbonitrile CAS Name: 1-(4-nitrophenyl)-2-oxo-7-(3-pyrrolidinylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 1-(4-nitrophenyl)-2-oxo-7-(pyrrolidin-3-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 2-keto-1-(4-nitrophenyl)-7-(pyrrolidin-3-ylmethylamino)quinoline-3-carbonitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=CC3=C(C=C2)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CNCC1CNC2=CC3=C(C=C2)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H19N5O3/c22-11-16-9-15-1-2-17(24-13-14-7-8-23-12-14)10-20(15)25(21(16)27)18-3-5-19(6-4-18)26(28)29/h1-6,9-10,14,23-24H,7-8,12-13H2