[2-(methylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C17H16ClN3O5/c1-19-16(22)10-26-17(23)13-8-12(21(24)25)6-7-15(13)20-9-11-4-2-3-5-14(11)18/h2-8,20H,9-10H2,1H3,(H,19,22)