2-azanyl-4-(2-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxy-2-bromo-5-ethoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxy-2-bromo-5-ethoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O4/c1-2-30-21-11-16(18(26)12-22(21)31-14-15-7-4-3-5-8-15)23-17(13-27)25(28)32-20-10-6-9-19(29)24(20)23/h3-5,7-8,11-12,23H,2,6,9-10,14,28H2,1H3