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

Systemtic Name: 6-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-ethyl-3-nitro-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5/c1-2-13-5-3-12(9-16(13)21(24)25)4-7-17(22)14-6-8-18-15(10-14)20-19(23)11-26-18/h3-10H,2,11H2,1H3,(H,20,23)/b7-4+