[4-bromanyl-2-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 2-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(pyrazin-2-ylcarbonylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Openeye Name: [4-bromo-2-[(E)-(pyrazine-2-carbonylhydrazono)methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-bromo-2-[(E)-[[oxo(2-pyrazinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-bromo-2-[(E)-(pyrazinoylhydrazono)methyl]phenyl] ester Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C20H15BrN4O3/c1-13-4-2-3-5-16(13)20(27)28-18-7-6-15(21)10-14(18)11-24-25-19(26)17-12-22-8-9-23-17/h2-12H,1H3,(H,25,26)/b24-11+