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

Systemtic Name: (E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(3-nitrophenyl)acrylonitrile Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-29-20-7-5-18(6-8-20)23-9-11-24(12-10-23)21(26)17(15-22)13-16-3-2-4-19(14-16)25(27)28/h2-8,13-14H,9-12H2,1H3/b17-13+