dimethyl 5-[(4-bromanyl-5-nitro-1H-pyrrol-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-bromanyl-5-nitro-1H-pyrrol-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-bromo-5-nitro-1H-pyrrole-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-bromo-5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-bromo-5-nitro-1H-pyrrole-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-bromo-5-nitro-1H-pyrrole-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H12BrN3O7 MolecularWeight: 426.17568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(N2)[N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(N2)[N+](=O)[O-])Br)C(=O)OC

InChI

InChI=1S/C15H12BrN3O7/c1-25-14(21)7-3-8(15(22)26-2)5-9(4-7)17-13(20)11-6-10(16)12(18-11)19(23)24/h3-6,18H,1-2H3,(H,17,20)