[2-methyl-2-(3-methylbutylamino)propyl] 4-nitrobenzoate; 4-nitrobenzoic acid

Systemtic Name: [2-methyl-2-(3-methylbutylamino)propyl] 4-nitrobenzoate; 4-nitrobenzoic acid Openeye Name: [2-(isopentylamino)-2-methyl-propyl] 4-nitrobenzoate; 4-nitrobenzoic acid CAS Name: 4-nitrobenzoic acid; 4-nitrobenzoic acid [2-methyl-2-(3-methylbutylamino)propyl] ester IUPAC Name: [2-methyl-2-(3-methylbutylamino)propyl] 4-nitrobenzoate; 4-nitrobenzoic acid Traditional Name: 4-nitrobenzoic acid; 4-nitrobenzoic acid [2-(isoamylamino)-2-methyl-propyl] ester Formula: C23H29N3O8 MolecularWeight: 475.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(C)(C)COC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(C)(C)COC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O4.C7H5NO4/c1-12(2)9-10-17-16(3,4)11-22-15(19)13-5-7-14(8-6-13)18(20)21;9-7(10)5-1-3-6(4-2-5)8(11)12/h5-8,12,17H,9-11H2,1-4H3;1-4H,(H,9,10)