4-(3-nitrophenyl)carbonyloxybut-2-ynyl 3-nitrobenzoate

Systemtic Name: 4-(3-nitrophenyl)carbonyloxybut-2-ynyl 3-nitrobenzoate Openeye Name: 4-(3-nitrobenzoyl)oxybut-2-ynyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 4-[(3-nitrophenyl)-oxomethoxy]but-2-ynyl ester IUPAC Name: 4-(3-nitrobenzoyl)oxybut-2-ynyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 4-(3-nitrobenzoyl)oxybut-2-ynyl ester Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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