6-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O3/c1-13-16(21(22)25(24-13)15-5-3-2-4-6-15)8-9-18(26)14-7-10-19-17(11-14)23-20(27)12-28-19/h2-11H,12H2,1H3,(H,23,27)/b9-8+