3-cyanopropyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: 3-cyanopropyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: 3-cyanopropyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid 3-cyanopropyl ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCC#N)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCC#N)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O5/c19-15-11-12(22(25)26)7-8-13(15)17(23)21-16-6-2-1-5-14(16)18(24)27-10-4-3-9-20/h1-2,5-8,11H,3-4,10H2,(H,21,23)