2-azanyl-4-[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[3-bromo-4-(4-nitrobenzyl)oxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H18BrN3O5 MolecularWeight: 496.31012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])Br)C(=O)C1

InChI

InChI=1S/C23H18BrN3O5/c24-17-10-14(6-9-19(17)31-12-13-4-7-15(8-5-13)27(29)30)21-16(11-25)23(26)32-20-3-1-2-18(28)22(20)21/h4-10,21H,1-3,12,26H2