ethyl 3-oxidanylidene-3-phenylazanyl-2-[4-(1H-pyridin-4-ylidene)pyridin-1-ium-1-ylidene]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-phenylazanyl-2-[4-(1H-pyridin-4-ylidene)pyridin-1-ium-1-ylidene]propanoate Openeye Name: ethyl 3-anilino-3-oxo-2-[4-(1H-pyridin-4-ylidene)pyridin-1-ium-1-ylidene]propanoate CAS Name: 3-anilino-3-oxo-2-[4-(1H-pyridin-4-ylidene)-1-pyridin-1-iumylidene]propanoic acid ethyl ester IUPAC Name: ethyl 3-anilino-3-oxo-2-[4-(1H-pyridin-4-ylidene)pyridin-1-ium-1-ylidene]propanoate Traditional Name: 3-anilino-3-keto-2-[4-(1H-pyridin-4-ylidene)pyridin-1-ium-1-ylidene]propionic acid ethyl ester Formula: C21H20N3O3+ MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=[N+]1C=CC(=C2C=CNC=C2)C=C1)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=[N+]1C=CC(=C2C=CNC=C2)C=C1)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-2-27-21(26)19(20(25)23-18-6-4-3-5-7-18)24-14-10-17(11-15-24)16-8-12-22-13-9-16/h3-15H,2H2,1H3,(H-,22,23,25,26)/p+1