2-[[4-[(4-cyano-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]phenyl]amino]ethanoate

Systemtic Name: 2-[[4-[(4-cyano-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]phenyl]amino]ethanoate Openeye Name: 2-[4-[(4-cyano-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]anilino]acetate CAS Name: 2-[4-[(4-cyano-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]anilino]acetate IUPAC Name: 2-[4-[(4-cyano-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]anilino]acetate Traditional Name: 2-[4-[(4-cyano-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]anilino]acetate Formula: C22H17N5O3 MolecularWeight: 399.40208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3C=CC=CC3=[N+]2C(=O)C1=CNC4=CC=C(C=C4)NCC(=O)[O-])C#N

Isomeric SMILES

CC1=C(C2=NC3C=CC=CC3=[N+]2C(=O)C1=CNC4=CC=C(C=C4)NCC(=O)[O-])C#N

InChI

InChI=1S/C22H17N5O3/c1-13-16(10-23)21-26-18-4-2-3-5-19(18)27(21)22(30)17(13)11-24-14-6-8-15(9-7-14)25-12-20(28)29/h2-9,11,18,25H,12H2,1H3,(H-,24,26,28,29,30)