ethyl 2-chloranyl-5-[[5-cyano-4-methyl-2,6-bis(oxidanylidene)-1-phenethyl-pyridin-3-ylidene]methylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[[5-cyano-4-methyl-2,6-bis(oxidanylidene)-1-phenethyl-pyridin-3-ylidene]methylamino]benzoate Openeye Name: ethyl 2-chloro-5-[(5-cyano-4-methyl-2,6-dioxo-1-phenethyl-3-pyridylidene)methylamino]benzoate CAS Name: 2-chloro-5-[(5-cyano-4-methyl-2,6-dioxo-1-phenethyl-3-pyridinylidene)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[(5-cyano-4-methyl-2,6-dioxo-1-phenethylpyridin-3-ylidene)methylamino]benzoate Traditional Name: 2-chloro-5-[(5-cyano-2,6-diketo-4-methyl-1-phenethyl-3-pyridylidene)methylamino]benzoic acid ethyl ester Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC=C2C(=C(C(=O)N(C2=O)CCC3=CC=CC=C3)C#N)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC=C2C(=C(C(=O)N(C2=O)CCC3=CC=CC=C3)C#N)C)Cl

InChI

InChI=1S/C25H22ClN3O4/c1-3-33-25(32)19-13-18(9-10-22(19)26)28-15-21-16(2)20(14-27)23(30)29(24(21)31)12-11-17-7-5-4-6-8-17/h4-10,13,15,28H,3,11-12H2,1-2H3