methyl 4-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O6/c1-20(10-13-5-3-4-6-14(13)19)17(22)11-27-16-8-7-12(18(23)26-2)9-15(16)21(24)25/h3-9H,10-11H2,1-2H3