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

Systemtic Name: (E)-3-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(o-tolyl)prop-2-enenitrile CAS Name: (E)-3-(2-methylphenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3-(o-tolyl)acrylonitrile Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C#N)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c1-16-4-2-3-5-17(16)14-18(15-22)21(26)24-12-10-23(11-13-24)19-6-8-20(9-7-19)25(27)28/h2-9,14H,10-13H2,1H3/b18-14+