(E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-30-18-5-3-17(4-6-18)23-8-10-24(11-9-23)21(27)16(14-22)12-15-2-7-20(26)19(13-15)25(28)29/h2-7,12-13,26H,8-11H2,1H3/b16-12+