6-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16N2O7/c1-26-17-8-11(14(21(24)25)9-18(17)27-2)3-5-15(22)12-4-6-16-13(7-12)20-19(23)10-28-16/h3-9H,10H2,1-2H3,(H,20,23)/b5-3+