(4S)-2-azanyl-4-[3,4-bis(oxidanyl)phenyl]-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[3,4-bis(oxidanyl)phenyl]-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2C3=C(C=C(C=C3)O)OC(=C2C#N)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1[C@H]2C3=C(C=C(C=C3)O)OC(=C2C#N)N)O)O

InChI

InChI=1S/C16H12N2O4/c17-7-11-15(8-1-4-12(20)13(21)5-8)10-3-2-9(19)6-14(10)22-16(11)18/h1-6,15,19-21H,18H2/t15-/m0/s1