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

Systemtic Name: methyl 4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-acetyl-1-piperazinyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(4-acetylpiperazino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c1-11(20)17-5-7-18(8-6-17)15(21)10-26-14-4-3-12(16(22)25-2)9-13(14)19(23)24/h3-4,9H,5-8,10H2,1-2H3