1-[8-(2-carboxy-4-nitro-pyrrol-1-yl)octyl]-4-nitro-pyrrole-2-carboxylic acid

Systemtic Name: 1-[8-(2-carboxy-4-nitro-pyrrol-1-yl)octyl]-4-nitro-pyrrole-2-carboxylic acid Openeye Name: 1-[8-(2-carboxy-4-nitro-pyrrol-1-yl)octyl]-4-nitro-pyrrole-2-carboxylic acid CAS Name: 1-[8-(2-carboxy-4-nitro-1-pyrrolyl)octyl]-4-nitro-2-pyrrolecarboxylic acid IUPAC Name: 1-[8-(2-carboxy-4-nitropyrrol-1-yl)octyl]-4-nitropyrrole-2-carboxylic acid Traditional Name: 1-[8-(2-carboxy-4-nitro-pyrrol-1-yl)octyl]-4-nitro-pyrrole-2-carboxylic acid Formula: C18H22N4O8 MolecularWeight: 422.38928

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N(C=C1[N+](=O)[O-])CCCCCCCCN2C=C(C=C2C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(N(C=C1[N+](=O)[O-])CCCCCCCCN2C=C(C=C2C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H22N4O8/c23-17(24)15-9-13(21(27)28)11-19(15)7-5-3-1-2-4-6-8-20-12-14(22(29)30)10-16(20)18(25)26/h9-12H,1-8H2,(H,23,24)(H,25,26)