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

Systemtic Name: (E)-3-(3-methoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-methoxyphenyl)-2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(3-methoxyphenyl)-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-methoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-methoxyphenyl)-2-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]acrylonitrile Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-29-18-4-2-3-15(12-18)11-16(13-21)20(26)24-9-7-23(8-10-24)17-5-6-19(22-14-17)25(27)28/h2-6,11-12,14H,7-10H2,1H3/b16-11+