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

Systemtic Name: 3-[4-[(E)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]propanoic acid Openeye Name: 3-[4-[(E)-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanoic acid CAS Name: 3-[4-[(E)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanoic acid IUPAC Name: 3-[4-[(E)-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanoic acid Traditional Name: 3-[4-[(E)-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]propionic acid Formula: C15H15BrN2O5 MolecularWeight: 383.194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCC(=O)O)C=C2C=C(C(=O)C(=C2)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)CCC(=O)O)/C=C/2\C=C(C(=O)C(=C2)Br)OC

InChI

InChI=1S/C15H15BrN2O5/c1-8-10(15(22)18(17-8)4-3-13(19)20)5-9-6-11(16)14(21)12(7-9)23-2/h5-7,17H,3-4H2,1-2H3,(H,19,20)/b9-5-