1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-4-(4-nitroanilino)butan-1-one Formula: C20H22ClN5O5 MolecularWeight: 447.87218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O5/c21-15-3-8-18(19(14-15)26(30)31)23-10-12-24(13-11-23)20(27)2-1-9-22-16-4-6-17(7-5-16)25(28)29/h3-8,14,22H,1-2,9-13H2