ethyl 2-[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: ethyl 2-[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: ethyl 2-[4-(4-chloro-2-nitro-benzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(4-chloro-2-nitro-benzoyl)piperazino]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C21H21Cl2N3O5 MolecularWeight: 466.31454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O5/c1-2-31-21(28)19(14-3-5-15(22)6-4-14)24-9-11-25(12-10-24)20(27)17-8-7-16(23)13-18(17)26(29)30/h3-8,13,19H,2,9-12H2,1H3