4-[4-[[2,3-bis(bromanyl)-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: 4-[4-[[2,3-bis(bromanyl)-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: 4-[4-[(2,3-dibromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(2,3-dibromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate IUPAC Name: 4-[4-[(2,3-dibromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(2,3-dibromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoate Formula: C19H13Br2N2O5- MolecularWeight: 509.12492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-])C=C3C=C(C(=O)C(=C3Br)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-])C=C3C=C(C(=O)C(=C3Br)Br)OC

InChI

InChI=1S/C19H14Br2N2O5/c1-9-13(7-11-8-14(28-2)17(24)16(21)15(11)20)18(25)23(22-9)12-5-3-10(4-6-12)19(26)27/h3-8,22H,1-2H3,(H,26,27)/p-1