2,7-bis(azanyl)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4H-chromene-3-carbonitrile

Systemtic Name: 2,7-bis(azanyl)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4H-chromene-3-carbonitrile Openeye Name: 2,7-diamino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4H-chromene-3-carbonitrile CAS Name: 2,7-diamino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2,7-diamino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-4H-chromene-3-carbonitrile Traditional Name: 2,7-diamino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4H-chromene-3-carbonitrile Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)Br)O

InChI

InChI=1S/C17H14BrN3O3/c1-23-14-5-8(4-12(18)16(14)22)15-10-3-2-9(20)6-13(10)24-17(21)11(15)7-19/h2-6,15,22H,20-21H2,1H3