methyl 4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(3-nitro-2-pyridyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-nitropyridin-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(3-nitro-2-pyridyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c1-27-18(24)14-6-4-13(5-7-14)17(23)21-11-9-20(10-12-21)16-15(22(25)26)3-2-8-19-16/h2-8H,9-12H2,1H3