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

Systemtic Name: (6E)-2-azanyl-4-(4-bromophenyl)-6-(4-butoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile Openeye Name: (6E)-2-amino-4-(4-bromophenyl)-6-(4-butoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile CAS Name: (6E)-2-amino-4-(4-bromophenyl)-6-(4-butoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridine-3-carbonitrile IUPAC Name: (6E)-2-amino-4-(4-bromophenyl)-6-(4-butoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile Traditional Name: (6E)-2-amino-4-(4-bromophenyl)-6-(4-butoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carbonitrile Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O4/c1-2-3-8-31-21-11-20(28)16(10-19(21)27(29)30)18-9-15(17(12-24)22(25)26-18)13-4-6-14(23)7-5-13/h4-7,9-11,26H,2-3,8,25H2,1H3/b18-16+