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

Systemtic Name: [2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-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-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-5-23(14(2)3)18-10-8-17(9-11-18)22-20(25)13-29-21(26)16-7-6-15(4)19(12-16)24(27)28/h6-12,14H,5,13H2,1-4H3,(H,22,25)