[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7/c1-25-15-8-13(14(20(23)24)9-16(15)26-2)18(22)27-11-17(21)19-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,21)