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

Systemtic Name: (4S)-2-azanyl-4-(4-morpholin-4-yl-3-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(4-morpholino-3-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[4-(4-morpholinyl)-3-nitrophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(4-morpholin-4-yl-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-4-(4-morpholino-3-nitro-phenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C20H20N4O5/c21-11-13-18(19-16(25)2-1-3-17(19)29-20(13)22)12-4-5-14(15(10-12)24(26)27)23-6-8-28-9-7-23/h4-5,10,18H,1-3,6-9,22H2/t18-/m0/s1