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

Systemtic Name: [2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-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-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O5/c1-4-23(13(2)3)16-8-6-15(7-9-16)22-19(25)12-29-20(26)14-5-10-17(21)18(11-14)24(27)28/h5-11,13H,4,12H2,1-3H3,(H,22,25)