[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C23H28ClN3O6 MolecularWeight: 477.93792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H28ClN3O6/c1-4-31-20-13-16(14-21(32-5-2)22(20)33-6-3)23(28)26-11-9-25(10-12-26)18-8-7-17(24)15-19(18)27(29)30/h7-8,13-15H,4-6,9-12H2,1-3H3