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

Systemtic Name: ethyl 4-acetamido-3-[(2-chloranyl-4-nitro-phenyl)methylamino]benzoate Openeye Name: ethyl 4-acetamido-3-[(2-chloro-4-nitro-phenyl)methylamino]benzoate CAS Name: 4-acetamido-3-[(2-chloro-4-nitrophenyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-[(2-chloro-4-nitrophenyl)methylamino]benzoate Traditional Name: 4-acetamido-3-[(2-chloro-4-nitro-benzyl)amino]benzoic acid ethyl ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O5/c1-3-27-18(24)12-5-7-16(21-11(2)23)17(8-12)20-10-13-4-6-14(22(25)26)9-15(13)19/h4-9,20H,3,10H2,1-2H3,(H,21,23)