methyl 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2-furoyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-27-18(24)13-9-12(10-14(11-13)21(25)26)16(22)19-4-6-20(7-5-19)17(23)15-3-2-8-28-15/h2-3,8-11H,4-7H2,1H3