(3Z)-2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile

Systemtic Name: (3Z)-2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile Openeye Name: (3Z)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile CAS Name: (3Z)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile IUPAC Name: (3Z)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile Traditional Name: (3Z)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile Formula: C14H7N5O4 MolecularWeight: 309.23648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=C(C#N)C#N)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=C(C#N)C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C14H7N5O4/c15-4-9(14(18)10(5-16)6-17)1-8-2-12-13(23-7-22-12)3-11(8)19(20)21/h1-3H,7,18H2/b9-1+