2-[5-(3,5-dinitrophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(3,5-dinitrophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(3,5-dinitrobenzoyl)-1-methyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(3,5-dinitrophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(3,5-dinitrobenzoyl)-1-methylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(3,5-dinitrobenzoyl)-1-methyl-pyrrol-2-yl]acetic acid Formula: C14H11N3O7 MolecularWeight: 333.25304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C14H11N3O7/c1-15-9(7-13(18)19)2-3-12(15)14(20)8-4-10(16(21)22)6-11(5-8)17(23)24/h2-6H,7H2,1H3,(H,18,19)