methyl 4-(6-azanyl-5,7-dicyano-2,3-dihydro-1H-inden-4-yl)benzoate

Systemtic Name: methyl 4-(6-azanyl-5,7-dicyano-2,3-dihydro-1H-inden-4-yl)benzoate Openeye Name: methyl 4-(6-amino-5,7-dicyano-indan-4-yl)benzoate CAS Name: 4-(6-amino-5,7-dicyano-2,3-dihydro-1H-inden-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-amino-5,7-dicyano-2,3-dihydro-1H-inden-4-yl)benzoate Traditional Name: 4-(6-amino-5,7-dicyano-indan-4-yl)benzoic acid methyl ester Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=C(C3=C2CCC3)C#N)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=C(C3=C2CCC3)C#N)N)C#N

InChI

InChI=1S/C19H15N3O2/c1-24-19(23)12-7-5-11(6-8-12)17-14-4-2-3-13(14)15(9-20)18(22)16(17)10-21/h5-8H,2-4,22H2,1H3