[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H14ClN3O5 MolecularWeight: 363.75246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C16H14ClN3O5/c17-11-3-1-10(2-4-11)8-19-15(21)9-25-16(22)13-6-5-12(20(23)24)7-14(13)18/h1-7H,8-9,18H2,(H,19,21)