methyl 4-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(4-carbamoylpiperidino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c1-25-16(22)11-2-3-13(12(8-11)19(23)24)26-9-14(20)18-6-4-10(5-7-18)15(17)21/h2-3,8,10H,4-7,9H2,1H3,(H2,17,21)