1-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(2,4-dichlorobenzoyl)piperazino]-3-(2-nitroanilino)propan-1-one Formula: C20H20Cl2N4O4 MolecularWeight: 451.3032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4O4/c21-14-5-6-15(16(22)13-14)20(28)25-11-9-24(10-12-25)19(27)7-8-23-17-3-1-2-4-18(17)26(29)30/h1-6,13,23H,7-12H2