[2-(2-azanyl-3-cyano-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromen-4-yl)-4-bromanyl-phenyl] benzoate

Systemtic Name: [2-(2-azanyl-3-cyano-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromen-4-yl)-4-bromanyl-phenyl] benzoate Openeye Name: [2-(2-amino-3-cyano-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromen-4-yl)-4-bromo-phenyl] benzoate CAS Name: benzoic acid [2-(2-amino-3-cyano-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-4-bromophenyl] ester IUPAC Name: [2-(2-amino-3-cyano-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromen-4-yl)-4-bromophenyl] benzoate Traditional Name: benzoic acid [2-(2-amino-3-cyano-5-keto-7-phenyl-4,6,7,8-tetrahydrochromen-4-yl)-4-bromo-phenyl] ester Formula: C29H21BrN2O4 MolecularWeight: 541.39204

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4)C#N)N)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=C1OC(=C(C2C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4)C#N)N)C5=CC=CC=C5

InChI

InChI=1S/C29H21BrN2O4/c30-20-11-12-24(36-29(34)18-9-5-2-6-10-18)21(15-20)26-22(16-31)28(32)35-25-14-19(13-23(33)27(25)26)17-7-3-1-4-8-17/h1-12,15,19,26H,13-14,32H2