ethyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-cyanopyridin-2-yl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-2-30-20(27)16-10-15(11-17(12-16)25(28)29)19(26)24-7-5-23(6-8-24)18-9-14(13-21)3-4-22-18/h3-4,9-12H,2,5-8H2,1H3