N-[(E)-[1-(2-azanyl-2-oxidanylidene-ethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[(E)-[1-(2-azanyl-2-oxidanylidene-ethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[(E)-[1-(2-amino-2-oxo-ethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-5-bromo-furan-2-carboxamide CAS Name: N-[(E)-[1-(2-amino-2-oxoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-5-bromo-2-furancarboxamide IUPAC Name: N-[(E)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-5-bromofuran-2-carboxamide Traditional Name: N-[(E)-[1-(2-amino-2-keto-ethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-5-bromo-2-furamide Formula: C17H14BrN5O3 MolecularWeight: 416.22876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)Br)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=C(O3)Br)CC(=O)N

InChI

InChI=1S/C17H14BrN5O3/c18-14-7-6-13(26-14)17(25)21-20-8-12-9-23(10-15(19)24)22-16(12)11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,24)(H,21,25)/b20-8+