ethyl 4-[2-(5-nitro-3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-nitro-3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-nitro-3-oxo-1H-isobenzofuran-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(5-nitro-3-oxo-1H-isobenzofuran-1-yl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-nitro-3-oxo-1H-2-benzofuran-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-keto-5-nitro-phthalan-1-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C17H19N3O7/c1-2-26-17(23)19-7-5-18(6-8-19)15(21)10-14-12-4-3-11(20(24)25)9-13(12)16(22)27-14/h3-4,9,14H,2,5-8,10H2,1H3