(4S)-2-azanyl-4-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(2-chloro-4-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(2-chloro-4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(2-chloro-4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(2-chloro-4-nitro-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(O2)N)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)C1

InChI

InChI=1S/C16H12ClN3O4/c17-11-6-8(20(22)23)4-5-9(11)14-10(7-18)16(19)24-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,19H2/t14-/m0/s1