4-(4-nitrophenyl)carbonyloxybut-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-(4-nitrophenyl)carbonyloxybut-2-ynyl 4-nitrobenzoate Openeye Name: 4-(4-nitrobenzoyl)oxybut-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[(4-nitrophenyl)-oxomethoxy]but-2-ynyl ester IUPAC Name: 4-(4-nitrobenzoyl)oxybut-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-(4-nitrobenzoyl)oxybut-2-ynyl ester Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O8/c21-17(13-3-7-15(8-4-13)19(23)24)27-11-1-2-12-28-18(22)14-5-9-16(10-6-14)20(25)26/h3-10H,11-12H2