methyl 2-[4-[3,5-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[3,5-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(3,5-dichlorophenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(3,5-dichlorobenzoyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H17Cl2N3O5 MolecularWeight: 438.26138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O5/c1-29-19(26)16-11-15(24(27)28)2-3-17(16)22-4-6-23(7-5-22)18(25)12-8-13(20)10-14(21)9-12/h2-3,8-11H,4-7H2,1H3