[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5/c1-13(2)10-21(11-14(3)4)18(23)12-27-19(24)15-7-8-16(20(5)6)17(9-15)22(25)26/h7-9,13-14H,10-12H2,1-6H3