O1-ethyl O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester IUPAC Name: 1-O-ethyl 4-O-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester Formula: C15H15NO8 MolecularWeight: 337.2815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

InChI=1S/C15H15NO8/c1-2-22-13(17)3-4-14(18)23-8-11-6-12(16(19)20)5-10-7-21-9-24-15(10)11/h3-6H,2,7-9H2,1H3/b4-3+