2-(9-methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(9-methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-[(1-hexyl-3-methyl-nonyl)amino]ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(9-methylpentadecan-7-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(9-methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-[(1-hexyl-3-methyl-nonyl)amino]ethyl ester hydrochloride Formula: C25H43ClN2O4 MolecularWeight: 471.07292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O4.ClH/c1-4-6-8-10-12-21(3)20-23(13-11-9-7-5-2)26-18-19-31-25(28)22-14-16-24(17-15-22)27(29)30;/h14-17,21,23,26H,4-13,18-20H2,1-3H3;1H