2-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4H-benzo[h]chromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4H-benzo[h]chromene-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4H-benzo[h]chromene-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4H-benzo[h]chromene-3-carbonitrile Formula: C21H15BrN2O3 MolecularWeight: 423.2594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)Br)O

InChI

InChI=1S/C21H15BrN2O3/c1-26-17-9-12(8-16(22)19(17)25)18-14-7-6-11-4-2-3-5-13(11)20(14)27-21(24)15(18)10-23/h2-9,18,25H,24H2,1H3