(4S)-6-azanyl-3-tert-butyl-4-(4-chloranyl-3-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-3-tert-butyl-4-(4-chloranyl-3-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-3-tert-butyl-4-(4-chloro-3-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-3-tert-butyl-4-(4-chloro-3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-3-tert-butyl-4-(4-chloro-3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-3-tert-butyl-4-(4-chloro-3-nitro-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O3/c1-17(2,3)14-13-12(8-4-5-10(18)11(6-8)23(24)25)9(7-19)15(20)26-16(13)22-21-14/h4-6,12H,20H2,1-3H3,(H,21,22)/t12-/m0/s1