3-[[[5,6-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]methylamino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[5,6-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]methylamino]methyl]benzenecarbonitrile Openeye Name: 3-[[(5,6-dihydroxy-4-oxo-chromen-2-yl)methylamino]methyl]benzonitrile CAS Name: 3-[[(5,6-dihydroxy-4-oxo-1-benzopyran-2-yl)methylamino]methyl]benzonitrile IUPAC Name: 3-[[(5,6-dihydroxy-4-oxochromen-2-yl)methylamino]methyl]benzonitrile Traditional Name: 3-[[(5,6-dihydroxy-4-keto-chromen-2-yl)methylamino]methyl]benzonitrile Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC2=CC(=O)C3=C(O2)C=CC(=C3O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNCC2=CC(=O)C3=C(O2)C=CC(=C3O)O)C#N

InChI

InChI=1S/C18H14N2O4/c19-8-11-2-1-3-12(6-11)9-20-10-13-7-15(22)17-16(24-13)5-4-14(21)18(17)23/h1-7,20-21,23H,9-10H2