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

Systemtic Name: methyl 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-3-nitro-benzoic acid methyl ester Formula: C18H17Cl2N3O4 MolecularWeight: 410.25128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O4/c1-27-18(24)12-2-5-16(17(10-12)23(25)26)22-8-6-21(7-9-22)13-3-4-14(19)15(20)11-13/h2-5,10-11H,6-9H2,1H3