2-azanyl-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-amino-5-ethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-6-phenyl-nicotinonitrile Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(N=C(C(=C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4/c1-2-13-19(14-8-17-18(29-11-28-17)9-16(14)25(26)27)15(10-22)21(23)24-20(13)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3,(H2,23,24)