2-azanyl-5-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-4,6-dimethyl-1H-cyclopenta[b]pyridine-3,7-dicarbonitrile

Systemtic Name: 2-azanyl-5-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-4,6-dimethyl-1H-cyclopenta[b]pyridine-3,7-dicarbonitrile Openeye Name: 2-amino-5-[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-4,6-dimethyl-1H-cyclopenta[b]pyridine-3,7-dicarbonitrile CAS Name: 2-amino-5-[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4,6-dimethyl-1H-cyclopenta[b]pyridine-3,7-dicarbonitrile IUPAC Name: 2-amino-5-[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4,6-dimethyl-1H-cyclopenta[b]pyridine-3,7-dicarbonitrile Traditional Name: 2-amino-5-[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-4,6-dimethyl-1H-1-pyrindine-3,7-dicarbonitrile Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(C(=C3C2=C(C(=C(N3)N)C#N)C)C#N)C)C=C(C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC2=C(C(=C3C2=C(C(=C(N3)N)C#N)C)C#N)C)C=C(C1=O)Br

InChI

InChI=1S/C21H17BrN4O2/c1-4-28-17-7-12(6-16(22)20(17)27)5-13-10(2)14(8-23)19-18(13)11(3)15(9-24)21(25)26-19/h5-7,26H,4,25H2,1-3H3