2-[[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylideneamino]carbamoyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylideneamino]carbamoyl]-4-nitro-phenolate Openeye Name: 2-[[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyleneamino]carbamoyl]-4-nitro-phenolate CAS Name: 2-[[2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]hydrazinyl]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]carbamoyl]-4-nitrophenolate Traditional Name: 2-[[(3-bromo-5-ethoxy-4-methoxy-benzylidene)amino]carbamoyl]-4-nitro-phenolate Formula: C17H15BrN3O6- MolecularWeight: 437.2215

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])Br)OC

InChI

InChI=1S/C17H16BrN3O6/c1-3-27-15-7-10(6-13(18)16(15)26-2)9-19-20-17(23)12-8-11(21(24)25)4-5-14(12)22/h4-9,22H,3H2,1-2H3,(H,20,23)/p-1