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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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