dimethyl 2-[[(4-bromophenyl)amino]-phenyl-methyl]propanedioate

Systemtic Name: dimethyl 2-[[(4-bromophenyl)amino]-phenyl-methyl]propanedioate Openeye Name: dimethyl 2-[(4-bromoanilino)-phenyl-methyl]propanedioate CAS Name: 2-[(4-bromoanilino)-phenylmethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-bromoanilino)-phenylmethyl]propanedioate Traditional Name: 2-[(4-bromoanilino)-phenyl-methyl]malonic acid dimethyl ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H18BrNO4/c1-23-17(21)15(18(22)24-2)16(12-6-4-3-5-7-12)20-14-10-8-13(19)9-11-14/h3-11,15-16,20H,1-2H3