methyl 3-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H13BrN4O6 MolecularWeight: 425.19092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)Br

InChI

InChI=1S/C15H13BrN4O6/c1-19-7-10(16)6-12(19)14(22)18-17-13(21)8-3-9(15(23)26-2)5-11(4-8)20(24)25/h3-7H,1-2H3,(H,17,21)(H,18,22)