(4S)-2-azanyl-4-(2-chloranyl-4-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(2-chloranyl-4-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(2-chloro-4-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(2-chloro-4-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)C1)C

InChI

InChI=1S/C18H16ClN3O4/c1-18(2)6-13(23)16-14(7-18)26-17(21)11(8-20)15(16)10-4-3-9(22(24)25)5-12(10)19/h3-5,15H,6-7,21H2,1-2H3/t15-/m0/s1