[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-(3,5-diethoxyphenyl)methanone

Systemtic Name: [4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-(3,5-diethoxyphenyl)methanone Openeye Name: [4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]-(3,5-diethoxyphenyl)methanone CAS Name: [4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-(3,5-diethoxyphenyl)methanone IUPAC Name: [4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3,5-diethoxyphenyl)methanone Traditional Name: [4-(2-chloro-6-nitro-phenyl)piperazino]-(3,5-diethoxyphenyl)methanone Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24ClN3O5/c1-3-29-16-12-15(13-17(14-16)30-4-2)21(26)24-10-8-23(9-11-24)20-18(22)6-5-7-19(20)25(27)28/h5-7,12-14H,3-4,8-11H2,1-2H3