ethyl (2S)-2-[[4,5-bis(chloranyl)-2-nitro-phenyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[4,5-bis(chloranyl)-2-nitro-phenyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-(4,5-dichloro-2-nitro-anilino)-3-phenyl-propanoate CAS Name: (2S)-2-(4,5-dichloro-2-nitroanilino)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4,5-dichloro-2-nitroanilino)-3-phenylpropanoate Traditional Name: (2S)-2-(4,5-dichloro-2-nitro-anilino)-3-phenyl-propionic acid ethyl ester Formula: C17H16Cl2N2O4 MolecularWeight: 383.22594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O4/c1-2-25-17(22)15(8-11-6-4-3-5-7-11)20-14-9-12(18)13(19)10-16(14)21(23)24/h3-7,9-10,15,20H,2,8H2,1H3/t15-/m0/s1