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

Systemtic Name: [2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-5-24(15(3)4)18-10-8-17(9-11-18)23-21(26)14-31-22(27)16-7-12-20(30-6-2)19(13-16)25(28)29/h7-13,15H,5-6,14H2,1-4H3,(H,23,26)