5-methyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 5-methyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 5-methyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 5-methyl-4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 5-methyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-pyrrol-1-yl-3-furonitrile Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4/c1-14-18(16(12-21)20(30-14)25-6-2-3-7-25)19(27)24-10-8-23(9-11-24)15-4-5-17(22-13-15)26(28)29/h2-7,13H,8-11H2,1H3