methyl 3-[(4-chloranyl-3-nitro-phenyl)-ethanoyl-amino]propanoate

Systemtic Name: methyl 3-[(4-chloranyl-3-nitro-phenyl)-ethanoyl-amino]propanoate Openeye Name: methyl 3-(N-acetyl-4-chloro-3-nitro-anilino)propanoate CAS Name: 3-(N-acetyl-4-chloro-3-nitroanilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-acetyl-4-chloro-3-nitroanilino)propanoate Traditional Name: 3-(N-acetyl-4-chloro-3-nitro-anilino)propionic acid methyl ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(=O)OC)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CCC(=O)OC)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O5/c1-8(16)14(6-5-12(17)20-2)9-3-4-10(13)11(7-9)15(18)19/h3-4,7H,5-6H2,1-2H3