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

Systemtic Name: (3-butoxyphenyl)-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-butoxyphenyl)-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-butoxyphenyl)-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-butoxyphenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-butoxyphenyl)-[4-(2-chloro-6-nitro-phenyl)piperazino]methanone Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c1-2-3-14-29-17-7-4-6-16(15-17)21(26)24-12-10-23(11-13-24)20-18(22)8-5-9-19(20)25(27)28/h4-9,15H,2-3,10-14H2,1H3