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

Systemtic Name: ethyl 3-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H15BrN4O6 MolecularWeight: 439.2175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2C)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2C)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN4O6/c1-3-27-16(24)10-4-9(5-12(6-10)21(25)26)14(22)18-19-15(23)13-7-11(17)8-20(13)2/h4-8H,3H2,1-2H3,(H,18,22)(H,19,23)