ethyl 5-chloranyl-3-[2-[[(cyanoamino)-phenylazanyl-methylidene]amino]ethyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[2-[[(cyanoamino)-phenylazanyl-methylidene]amino]ethyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-[[anilino-(cyanoamino)methylene]amino]ethyl]-5-chloro-1H-indole-2-carboxylate CAS Name: 3-[2-[[anilino-(cyanoamino)methylidene]amino]ethyl]-5-chloro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[[anilino-(cyanoamino)methylidene]amino]ethyl]-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-[2-[[anilino-(cyanoamino)methylene]amino]ethyl]-5-chloro-1H-indole-2-carboxylic acid ethyl ester Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CCN=C(NC#N)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CCN=C(NC#N)NC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN5O2/c1-2-29-20(28)19-16(17-12-14(22)8-9-18(17)27-19)10-11-24-21(25-13-23)26-15-6-4-3-5-7-15/h3-9,12,27H,2,10-11H2,1H3,(H2,24,25,26)