4-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylcarbamoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylcarbamoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylcarbamoylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[[[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylcarbamoylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylcarbamoylamino]-2-hydroxy-benzoic acid Formula: C19H15BrN4O5 MolecularWeight: 459.2502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=O)NC2=CC(=C(C=C2)C(=O)O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=O)C1=CNC(=O)NC2=CC(=C(C=C2)C(=O)O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN4O5/c1-10-15(17(26)24(23-10)13-5-2-11(20)3-6-13)9-21-19(29)22-12-4-7-14(18(27)28)16(25)8-12/h2-9,25H,1H3,(H,27,28)(H2,21,22,29)