(4S)-6-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: (4S)-6-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: (4S)-6-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: (4S)-6-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: (4S)-6-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: (4S)-6-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCCC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H15N5O5/c1-2-3-10-15-14(9(6-18)16(19)27-17(15)21-20-10)8-4-12-13(26-7-25-12)5-11(8)22(23)24/h4-5,14H,2-3,7,19H2,1H3,(H,20,21)/t14-/m0/s1