ethyl 4-[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(4-chloro-2-nitrophenoxy)-3-methoxyphenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22ClN3O7 MolecularWeight: 463.86828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22ClN3O7/c1-3-31-21(27)24-10-8-23(9-11-24)20(26)14-4-6-18(19(12-14)30-2)32-17-7-5-15(22)13-16(17)25(28)29/h4-7,12-13H,3,8-11H2,1-2H3