(8-bromanylnaphthalen-1-yl)methyl 3,5-dinitrobenzoate

Systemtic Name: (8-bromanylnaphthalen-1-yl)methyl 3,5-dinitrobenzoate Openeye Name: (8-bromo-1-naphthyl)methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (8-bromo-1-naphthalenyl)methyl ester IUPAC Name: (8-bromonaphthalen-1-yl)methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (8-bromo-1-naphthyl)methyl ester Formula: C18H11BrN2O6 MolecularWeight: 431.19374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=CC=C2)Br

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=CC=C2)Br

InChI

InChI=1S/C18H11BrN2O6/c19-16-6-2-4-11-3-1-5-12(17(11)16)10-27-18(22)13-7-14(20(23)24)9-15(8-13)21(25)26/h1-9H,10H2