2-(2-methyloctan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(2-methyloctan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(1,1-dimethylheptylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(2-methyloctan-2-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(2-methyloctan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(1,1-dimethylheptylamino)ethyl ester hydrochloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCCCC(C)(C)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

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