methyl 2-(2,3,4-trinitropyrrol-1-yl)benzoate

Systemtic Name: methyl 2-(2,3,4-trinitropyrrol-1-yl)benzoate Openeye Name: methyl 2-(2,3,4-trinitropyrrol-1-yl)benzoate CAS Name: 2-(2,3,4-trinitro-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2,3,4-trinitropyrrol-1-yl)benzoate Traditional Name: 2-(2,3,4-trinitropyrrol-1-yl)benzoic acid methyl ester Formula: C12H8N4O8 MolecularWeight: 336.21392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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