(6-nitro-1,3-benzodioxol-5-yl)methyl 2-cyclohexa-2,5-dien-1-ylideneethanoate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 2-cyclohexa-2,5-dien-1-ylideneethanoate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 2-cyclohexa-2,5-dien-1-ylideneacetate CAS Name: 2-(1-cyclohexa-2,5-dienylidene)acetic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 2-cyclohexa-2,5-dien-1-ylideneacetate Traditional Name: 2-cyclohexa-2,5-dien-1-ylideneacetic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C=C1

Isomeric SMILES

C1C=CC(=CC(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C=C1

InChI

InChI=1S/C16H13NO6/c18-16(6-11-4-2-1-3-5-11)21-9-12-7-14-15(23-10-22-14)8-13(12)17(19)20/h2-8H,1,9-10H2