(4S)-6-azanyl-3-methyl-4-(5-nitro-2-oxidanyl-phenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-3-methyl-4-(5-nitro-2-oxidanyl-phenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-4-(2-hydroxy-5-nitro-phenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-4-(2-hydroxy-5-nitrophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-4-(2-hydroxy-5-nitrophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-4-(2-hydroxy-5-nitro-phenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C20H15N5O4 MolecularWeight: 389.3642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1[C@@H](C(=C(O2)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O4/c1-11-17-18(14-9-13(25(27)28)7-8-16(14)26)15(10-21)19(22)29-20(17)24(23-11)12-5-3-2-4-6-12/h2-9,18,26H,22H2,1H3/t18-/m1/s1