4-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(4-chloro-2-nitro-phenyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C22H23ClN4O5 MolecularWeight: 458.89482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O5/c1-31-21-13-16(15-24)4-7-20(21)32-12-2-3-22(28)26-10-8-25(9-11-26)18-6-5-17(23)14-19(18)27(29)30/h4-7,13-14H,2-3,8-12H2,1H3