[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-15(2)23(17-7-5-4-6-8-17)20(25)14-30-21(26)16-9-10-18(22-11-12-29-3)19(13-16)24(27)28/h4-10,13,15,22H,11-12,14H2,1-3H3