methyl (2R,3R)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)amino]-3-nitro-butanoate

Systemtic Name: methyl (2R,3R)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)amino]-3-nitro-butanoate Openeye Name: methyl (2R,3R)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-nitro-butanoate CAS Name: (2R,3R)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-nitrobutanoic acid methyl ester IUPAC Name: methyl (2R,3R)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-nitrobutanoate Traditional Name: (2R,3R)-4-(4-bromophenyl)-3-nitro-2-(p-anisidino)butyric acid methyl ester Formula: C18H19BrN2O5 MolecularWeight: 423.25786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(C(CC2=CC=C(C=C2)Br)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]([C@@H](CC2=CC=C(C=C2)Br)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H19BrN2O5/c1-25-15-9-7-14(8-10-15)20-17(18(22)26-2)16(21(23)24)11-12-3-5-13(19)6-4-12/h3-10,16-17,20H,11H2,1-2H3/t16-,17-/m1/s1