2-[[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]methyl]-4-nitro-phenolate Formula: C14H10BrN2O4- MolecularWeight: 350.1442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC=C2C=C(C=CC2=O)Br)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC=C2C=C(C=CC2=O)Br)[O-]

InChI

InChI=1S/C14H11BrN2O4/c15-11-1-3-13(18)9(5-11)7-16-8-10-6-12(17(20)21)2-4-14(10)19/h1-7,16,19H,8H2/p-1