methyl 4-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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