2-bromanyl-4-nitro-6-[(E)-[[(3S,4R)-2-oxidanylidene-4-phenyl-pyrrolidin-3-yl]carbonylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-[(E)-[[(3S,4R)-2-oxidanylidene-4-phenyl-pyrrolidin-3-yl]carbonylhydrazinylidene]methyl]phenolate Openeye Name: 2-bromo-4-nitro-6-[(E)-[[(3S,4R)-2-oxo-4-phenyl-pyrrolidine-3-carbonyl]hydrazono]methyl]phenolate CAS Name: 2-bromo-4-nitro-6-[(E)-[[oxo-[(3S,4R)-2-oxo-4-phenyl-3-pyrrolidinyl]methyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-bromo-4-nitro-6-[(E)-[[(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carbonyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-bromo-6-[(E)-[[(3S,4R)-2-keto-4-phenyl-pyrrolidine-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate Formula: C18H14BrN4O5- MolecularWeight: 446.23156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)N1)C(=O)NN=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@H]([C@@H](C(=O)N1)C(=O)N/N=C/C2=CC(=CC(=C2[O-])Br)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15BrN4O5/c19-14-7-12(23(27)28)6-11(16(14)24)8-21-22-18(26)15-13(9-20-17(15)25)10-4-2-1-3-5-10/h1-8,13,15,24H,9H2,(H,20,25)(H,22,26)/p-1/b21-8+/t13-,15-/m0/s1