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

Systemtic Name: 3-cyanopropyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 3-cyanopropyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid 3-cyanopropyl ester Formula: C13H12ClN3O5 MolecularWeight: 325.70448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCC(=O)OCCCC#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCC(=O)OCCCC#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O5/c14-10-4-3-9(7-11(10)17(20)21)13(19)16-8-12(18)22-6-2-1-5-15/h3-4,7H,1-2,6,8H2,(H,16,19)