3-[4-[[5-bromanyl-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]chromen-2-one

Systemtic Name: 3-[4-[[5-bromanyl-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]chromen-2-one Openeye Name: 3-[4-[(3-benzyl-5-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one CAS Name: 3-[4-[[5-bromo-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(3-benzyl-5-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one Traditional Name: 3-[4-[(3-benzyl-5-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]coumarin Formula: C29H20BrNO3 MolecularWeight: 510.378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CNC3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O)C(=O)C(=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNC3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O)C(=O)C(=C2)Br

InChI

InChI=1S/C29H20BrNO3/c30-26-16-20(14-19-6-2-1-3-7-19)15-23(28(26)32)18-31-24-12-10-21(11-13-24)25-17-22-8-4-5-9-27(22)34-29(25)33/h1-13,15-18,31H,14H2