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

Systemtic Name: 6-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c20-14(4-1-10-2-5-15(21)13(7-10)19(23)24)11-3-6-16-12(8-11)18-17(22)9-25-16/h1-8,21H,9H2,(H,18,22)/b4-1+