[2-methyl-1-(3-methylbutylamino)propan-2-yl] 4-nitrobenzoate

Systemtic Name: [2-methyl-1-(3-methylbutylamino)propan-2-yl] 4-nitrobenzoate Openeye Name: [2-(isopentylamino)-1,1-dimethyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methyl-1-(3-methylbutylamino)propan-2-yl] ester IUPAC Name: [2-methyl-1-(3-methylbutylamino)propan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(isoamylamino)-1,1-dimethyl-ethyl] ester Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C)(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNCC(C)(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O4/c1-12(2)9-10-17-11-16(3,4)22-15(19)13-5-7-14(8-6-13)18(20)21/h5-8,12,17H,9-11H2,1-4H3