3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-5,7-bis(oxidanyl)-1,3-benzoxazine-2,4-dione

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-5,7-bis(oxidanyl)-1,3-benzoxazine-2,4-dione Openeye Name: 5,7-dihydroxy-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-1,3-benzoxazine-2,4-dione CAS Name: 5,7-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-benzoxazine-2,4-dione IUPAC Name: 5,7-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-benzoxazine-2,4-dione Traditional Name: 5,7-dihydroxy-3-vanillyl-1,3-benzoxazine-2,4-quinone Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(=O)C3=C(C=C(C=C3OC2=O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(=O)C3=C(C=C(C=C3OC2=O)O)O)O

InChI

InChI=1S/C16H13NO7/c1-23-12-4-8(2-3-10(12)19)7-17-15(21)14-11(20)5-9(18)6-13(14)24-16(17)22/h2-6,18-20H,7H2,1H3