(E)-3-(4-methylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-methylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-3-(p-tolyl)prop-2-enenitrile CAS Name: (E)-3-(4-methylphenyl)-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-3-(p-tolyl)acrylonitrile Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3/c1-15-2-4-16(5-3-15)12-17(13-21)20(26)24-10-8-23(9-11-24)18-6-7-19(22-14-18)25(27)28/h2-7,12,14H,8-11H2,1H3/b17-12+