[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H15ClN2O5/c1-11-4-2-7-14(16(11)20(23)24)17(22)25-10-15(21)19-9-12-5-3-6-13(18)8-12/h2-8H,9-10H2,1H3,(H,19,21)