[2-(heptan-2-ylamino)-2-methyl-propyl] 3-nitrobenzoate

Systemtic Name: [2-(heptan-2-ylamino)-2-methyl-propyl] 3-nitrobenzoate Openeye Name: [2-methyl-2-(1-methylhexylamino)propyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(heptan-2-ylamino)-2-methylpropyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-methylpropyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-methyl-2-(1-methylhexylamino)propyl] ester Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-5-6-7-9-14(2)19-18(3,4)13-24-17(21)15-10-8-11-16(12-15)20(22)23/h8,10-12,14,19H,5-7,9,13H2,1-4H3