ethyl (2S,3R)-3-(4-bromophenyl)-2-[(diphenylmethylidene)amino]-4-nitro-butanoate

Systemtic Name: ethyl (2S,3R)-3-(4-bromophenyl)-2-[(diphenylmethylidene)amino]-4-nitro-butanoate Openeye Name: ethyl (2S,3R)-2-(benzhydrylideneamino)-3-(4-bromophenyl)-4-nitro-butanoate CAS Name: (2S,3R)-3-(4-bromophenyl)-2-[(diphenylmethylene)amino]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-(benzhydrylideneamino)-3-(4-bromophenyl)-4-nitrobutanoate Traditional Name: (2S,3R)-2-(benzhydrylideneamino)-3-(4-bromophenyl)-4-nitro-butyric acid ethyl ester Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)Br)N=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C[N+](=O)[O-])C1=CC=C(C=C1)Br)N=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H23BrN2O4/c1-2-32-25(29)24(22(17-28(30)31)18-13-15-21(26)16-14-18)27-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22,24H,2,17H2,1H3/t22-,24-/m0/s1