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

Systemtic Name: (4S)-2-azanyl-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-4H-benzo[h]chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-4H-benzo[h]chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4H-benzo[h]chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-4H-benzo[h]chromene-3-carbonitrile Formula: C22H17BrN2O3 MolecularWeight: 437.28598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C3=C(C4=CC=CC=C4C=C3)OC(=C2C#N)N)Br)O

InChI

InChI=1S/C22H17BrN2O3/c1-2-27-18-10-13(9-17(23)20(18)26)19-15-8-7-12-5-3-4-6-14(12)21(15)28-22(25)16(19)11-24/h3-10,19,26H,2,25H2,1H3/t19-/m0/s1