[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H17N3O6/c1-25-13-5-2-11(3-6-13)9-19-16(21)10-26-17(22)14-8-12(20(23)24)4-7-15(14)18/h2-8H,9-10,18H2,1H3,(H,19,21)