methyl 3-azanyl-5-bromanyl-1-cyano-1-(4-fluorophenyl)indene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-bromanyl-1-cyano-1-(4-fluorophenyl)indene-2-carboxylate Openeye Name: methyl 3-amino-5-bromo-1-cyano-1-(4-fluorophenyl)indene-2-carboxylate CAS Name: 3-amino-5-bromo-1-cyano-1-(4-fluorophenyl)-2-indenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-bromo-1-cyano-1-(4-fluorophenyl)indene-2-carboxylate Traditional Name: 3-amino-5-bromo-1-cyano-1-(4-fluorophenyl)indene-2-carboxylic acid methyl ester Formula: C18H12BrFN2O2 MolecularWeight: 387.202483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C1(C#N)C3=CC=C(C=C3)F)C=CC(=C2)Br)N

Isomeric SMILES

COC(=O)C1=C(C2=C(C1(C#N)C3=CC=C(C=C3)F)C=CC(=C2)Br)N

InChI

InChI=1S/C18H12BrFN2O2/c1-24-17(23)15-16(22)13-8-11(19)4-7-14(13)18(15,9-21)10-2-5-12(20)6-3-10/h2-8H,22H2,1H3