ethyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: ethyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: ethyl (2S)-3-(4-benzyloxyphenyl)-2-(2,4-dinitroanilino)propanoate CAS Name: (2S)-2-(2,4-dinitroanilino)-3-(4-phenylmethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2,4-dinitroanilino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-(2,4-dinitroanilino)propionic acid ethyl ester Formula: C24H23N3O7 MolecularWeight: 465.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O7/c1-2-33-24(28)22(25-21-13-10-19(26(29)30)15-23(21)27(31)32)14-17-8-11-20(12-9-17)34-16-18-6-4-3-5-7-18/h3-13,15,22,25H,2,14,16H2,1H3/t22-/m0/s1