2-[(3-acetamido-4-methanoyl-phenyl)-ethyl-amino]ethyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 2-[(3-acetamido-4-methanoyl-phenyl)-ethyl-amino]ethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 2-(3-acetamido-N-ethyl-4-formyl-anilino)ethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 2-(3-acetamido-N-ethyl-4-formylanilino)ethyl ester IUPAC Name: 2-(3-acetamido-N-ethyl-4-formylanilino)ethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 2-(3-acetamido-N-ethyl-4-formyl-anilino)ethyl ester Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC(=C(C=C2)C=O)NC(=O)C

Isomeric SMILES

CCN(CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=CC(=C(C=C2)C=O)NC(=O)C

InChI

InChI=1S/C20H20ClN3O6/c1-3-23(15-5-4-14(12-25)19(11-15)22-13(2)26)8-9-30-20(27)17-7-6-16(24(28)29)10-18(17)21/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,26)