2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-[methyl(1-methylheptyl)amino]ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-[methyl(octan-2-yl)amino]ethyl ester hydrochloride IUPAC Name: 2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-[methyl(1-methylheptyl)amino]ethyl ester hydrochloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.ClH/c1-4-5-6-7-8-15(2)19(3)13-14-24-18(21)16-9-11-17(12-10-16)20(22)23;/h9-12,15H,4-8,13-14H2,1-3H3;1H