1-(nonadecan-10-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride

Systemtic Name: 1-(nonadecan-10-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride Openeye Name: [1-methyl-2-(1-nonyldecylamino)ethyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 1-(nonadecan-10-ylamino)propan-2-yl ester hydrochloride IUPAC Name: 1-(nonadecan-10-ylamino)propan-2-yl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [1-methyl-2-(1-nonyldecylamino)ethyl] ester hydrochloride Formula: C29H51ClN2O4 MolecularWeight: 527.17924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCC)NCC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCC)NCC(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C29H50N2O4.ClH/c1-4-6-8-10-12-14-16-18-27(19-17-15-13-11-9-7-5-2)30-24-25(3)35-29(32)26-20-22-28(23-21-26)31(33)34;/h20-23,25,27,30H,4-19,24H2,1-3H3;1H