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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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