[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15BrN2O3/c1-21(11-15-4-2-3-5-16(15)19)17(22)12-24-18(23)14-8-6-13(10-20)7-9-14/h2-9H,11-12H2,1H3