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

Systemtic Name: 6-[(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H14N2O7/c1-26-16-7-10(6-13(18(16)23)20(24)25)2-4-14(21)11-3-5-15-12(8-11)19-17(22)9-27-15/h2-8,23H,9H2,1H3,(H,19,22)/b4-2+