6-[(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C20H22N2O3/c1-12(2)22-13(3)9-15(14(22)4)5-7-18(23)16-6-8-19-17(10-16)21-20(24)11-25-19/h5-10,12H,11H2,1-4H3,(H,21,24)/b7-5+