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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C19H21N3O5/c1-3-21(12-14-7-5-4-6-8-14)18(23)13-27-19(24)16-11-15(22(25)26)9-10-17(16)20-2/h4-11,20H,3,12-13H2,1-2H3