2-azanyl-5-ethanoyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carbonitrile

Systemtic Name: 2-azanyl-5-ethanoyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carbonitrile Openeye Name: 5-acetyl-2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carbonitrile CAS Name: 5-acetyl-2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carbonitrile IUPAC Name: 5-acetyl-2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carbonitrile Traditional Name: 5-acetyl-2-amino-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carbonitrile Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)C

InChI

InChI=1S/C16H13N3O6/c1-7(20)14-8(2)25-16(18)10(5-17)15(14)9-3-12-13(24-6-23-12)4-11(9)19(21)22/h3-4,15H,6,18H2,1-2H3