1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate

Systemtic Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate Openeye Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl ester IUPAC Name: 1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1,1a,6,6a-tetrahydrocycloprop[a]inden-6-yl ester Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C1C3=CC=CC=C3C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2C1C3=CC=CC=C3C2OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c20-17(9-5-10(18(21)22)7-11(6-9)19(23)24)25-16-13-4-2-1-3-12(13)14-8-15(14)16/h1-7,14-16H,8H2