(4S)-2-azanyl-6-hexyl-4-(3-nitrophenyl)-5-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-6-hexyl-4-(3-nitrophenyl)-5-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-6-hexyl-5-hydroxy-4-(3-nitrophenyl)-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-6-hexyl-5-hydroxy-4-(3-nitrophenyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-6-hexyl-5-hydroxy-4-(3-nitrophenyl)-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-6-hexyl-5-hydroxy-4-(3-nitrophenyl)-4H-chromene-3-carbonitrile Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C1)OC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C#N)N)O

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C1)OC(=C([C@H]2C3=CC(=CC=C3)[N+](=O)[O-])C#N)N)O

InChI

InChI=1S/C22H23N3O4/c1-2-3-4-5-7-14-10-11-18-20(21(14)26)19(17(13-23)22(24)29-18)15-8-6-9-16(12-15)25(27)28/h6,8-12,19,26H,2-5,7,24H2,1H3/t19-/m1/s1