[(E)-(4-bromanyl-7-methoxy-2,3-dihydroinden-1-ylidene)amino] 4-butoxybenzoate

Systemtic Name: [(E)-(4-bromanyl-7-methoxy-2,3-dihydroinden-1-ylidene)amino] 4-butoxybenzoate Openeye Name: [(E)-(4-bromo-7-methoxy-indan-1-ylidene)amino] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(E)-(4-bromo-7-methoxy-2,3-dihydroinden-1-ylidene)amino] ester IUPAC Name: [(E)-(4-bromo-7-methoxy-2,3-dihydroinden-1-ylidene)amino] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(E)-(4-bromo-7-methoxy-indan-1-ylidene)amino] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)ON=C2CCC3=C(C=CC(=C32)OC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O/N=C/2\CCC3=C(C=CC(=C32)OC)Br

InChI

InChI=1S/C21H22BrNO4/c1-3-4-13-26-15-7-5-14(6-8-15)21(24)27-23-18-11-9-16-17(22)10-12-19(25-2)20(16)18/h5-8,10,12H,3-4,9,11,13H2,1-2H3/b23-18+