methyl 6-bromanyl-8-nitro-pyrene-2-carboxylate

Systemtic Name: methyl 6-bromanyl-8-nitro-pyrene-2-carboxylate Openeye Name: methyl 6-bromo-8-nitro-pyrene-2-carboxylate CAS Name: 6-bromo-8-nitro-2-pyrenecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-8-nitropyrene-2-carboxylate Traditional Name: 6-bromo-8-nitro-pyrene-2-carboxylic acid methyl ester Formula: C18H10BrNO4 MolecularWeight: 384.1803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4[N+](=O)[O-])Br)C=C2

Isomeric SMILES

COC(=O)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4[N+](=O)[O-])Br)C=C2

InChI

InChI=1S/C18H10BrNO4/c1-24-18(21)11-6-9-2-4-12-14(19)8-15(20(22)23)13-5-3-10(7-11)16(9)17(12)13/h2-8H,1H3