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

Systemtic Name: 6-[(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H16ClNO5 MolecularWeight: 397.80844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl)OCC#C

InChI

InChI=1S/C21H16ClNO5/c1-3-8-27-21-15(22)9-13(10-19(21)26-2)4-6-17(24)14-5-7-18-16(11-14)23-20(25)12-28-18/h1,4-7,9-11H,8,12H2,2H3,(H,23,25)/b6-4+