methyl 2-[2-(1,3-dinitropropan-2-yl)pyrrol-1-yl]benzoate

Systemtic Name: methyl 2-[2-(1,3-dinitropropan-2-yl)pyrrol-1-yl]benzoate Openeye Name: methyl 2-[2-[2-nitro-1-(nitromethyl)ethyl]pyrrol-1-yl]benzoate CAS Name: 2-[2-(1,3-dinitropropan-2-yl)-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-dinitropropan-2-yl)pyrrol-1-yl]benzoate Traditional Name: 2-[2-[2-nitro-1-(nitromethyl)ethyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=CC=C2C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=CC=C2C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6/c1-24-15(19)12-5-2-3-6-14(12)16-8-4-7-13(16)11(9-17(20)21)10-18(22)23/h2-8,11H,9-10H2,1H3