2-[(3-bromophenyl)methyl]-N-[(E)-(6-chloranyl-4-oxidanylidene-chromen-3-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-chloranyl-4-oxidanylidene-chromen-3-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-chloro-4-oxo-chromen-3-yl)methyleneamino]pyrazole-3-carboxamide CAS Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-chloro-4-oxo-1-benzopyran-3-yl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 2-(3-bromobenzyl)-N-[(E)-(6-chloro-4-keto-chromen-3-yl)methyleneamino]pyrazole-3-carboxamide Formula: C21H14BrClN4O3 MolecularWeight: 485.71786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C(=CC=N2)C(=O)NN=CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(=CC=N2)C(=O)N/N=C/C3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H14BrClN4O3/c22-15-3-1-2-13(8-15)11-27-18(6-7-25-27)21(29)26-24-10-14-12-30-19-5-4-16(23)9-17(19)20(14)28/h1-10,12H,11H2,(H,26,29)/b24-10+