5-chloranyl-3-methyl-7-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)-1H-quinoline-2,4-dione

Systemtic Name: 5-chloranyl-3-methyl-7-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)-1H-quinoline-2,4-dione Openeye Name: 5-chloro-3-methyl-7-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)-1H-quinoline-2,4-dione CAS Name: 5-chloro-3-methyl-7-(4-methyl-1-piperazinyl)-3-(4-nitrophenyl)-1H-quinoline-2,4-dione IUPAC Name: 5-chloro-3-methyl-7-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)-1H-quinoline-2,4-dione Traditional Name: 5-chloro-3-methyl-7-(4-methylpiperazino)-3-(4-nitrophenyl)-1H-quinoline-2,4-quinone Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=C(C=C(C=C2Cl)N3CCN(CC3)C)NC1=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1(C(=O)C2=C(C=C(C=C2Cl)N3CCN(CC3)C)NC1=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4/c1-21(13-3-5-14(6-4-13)26(29)30)19(27)18-16(22)11-15(12-17(18)23-20(21)28)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)