6-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-methyl-3-nitrophenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-methyl-3-nitrophenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-methyl-3-nitro-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5/c1-11-2-3-12(8-15(11)20(23)24)4-6-16(21)13-5-7-17-14(9-13)19-18(22)10-25-17/h2-9H,10H2,1H3,(H,19,22)/b6-4+