ethyl 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(E)-4-[4-(nitrosomethylidene)-1-pyridinyl]but-2-enyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CC=CCN2C=CC(=CN=O)C=C2

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)C/C=C/CN2C=CC(=CN=O)C=C2

InChI

InChI=1S/C18H20N3O3/c1-2-24-18(22)17-7-13-21(14-8-17)10-4-3-9-20-11-5-16(6-12-20)15-19-23/h3-8,11-15H,2,9-10H2,1H3/q+1/b4-3+