methyl 2-(2,4-dinitropyrrol-1-yl)-5-nitro-benzoate

Systemtic Name: methyl 2-(2,4-dinitropyrrol-1-yl)-5-nitro-benzoate Openeye Name: methyl 2-(2,4-dinitropyrrol-1-yl)-5-nitro-benzoate CAS Name: 2-(2,4-dinitro-1-pyrrolyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2,4-dinitropyrrol-1-yl)-5-nitrobenzoate Traditional Name: 2-(2,4-dinitropyrrol-1-yl)-5-nitro-benzoic acid methyl ester Formula: C12H8N4O8 MolecularWeight: 336.21392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O8/c1-24-12(17)9-4-7(14(18)19)2-3-10(9)13-6-8(15(20)21)5-11(13)16(22)23/h2-6H,1H3