(6E)-2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-butoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile

Systemtic Name: (6E)-2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-butoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile Openeye Name: (6E)-2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-butoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile CAS Name: (6E)-2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-butoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridine-3-carbonitrile IUPAC Name: (6E)-2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-butoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile Traditional Name: (6E)-2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-butoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=O)C(=C2C=C(C(=C(N2)N)C#N)C3=CC4=C(C=C3)OCO4)C=C1[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC(=O)/C(=C/2\C=C(C(=C(N2)N)C#N)C3=CC4=C(C=C3)OCO4)/C=C1[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6/c1-2-3-6-31-21-10-19(28)15(9-18(21)27(29)30)17-8-14(16(11-24)23(25)26-17)13-4-5-20-22(7-13)33-12-32-20/h4-5,7-10,26H,2-3,6,12,25H2,1H3/b17-15+