2-[[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-4-nitro-phenolate Openeye Name: 2-[[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-4-nitro-phenolate CAS Name: 2-[[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-4-nitrophenolate Traditional Name: 2-[[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-4-nitro-phenolate Formula: C16H13BrN3O6- MolecularWeight: 423.19492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O6/c1-2-26-14-6-9(5-12(17)15(14)22)8-18-19-16(23)11-7-10(20(24)25)3-4-13(11)21/h3-8,18,21H,2H2,1H3,(H,19,23)/p-1