ethyl 3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H23N3O8 MolecularWeight: 469.44402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O8/c1-2-32-23(29)16-11-15(12-17(13-16)26(30)31)21(27)24-7-9-25(10-8-24)22(28)20-14-33-18-5-3-4-6-19(18)34-20/h3-6,11-13,20H,2,7-10,14H2,1H3