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

Systemtic Name: 2-(octan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(1-methylheptylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(octan-2-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(octan-2-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(1-methylheptylamino)ethyl ester hydrochloride Formula: C17H27ClN2O4 MolecularWeight: 358.86028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4.ClH/c1-3-4-5-6-7-14(2)18-12-13-23-17(20)15-8-10-16(11-9-15)19(21)22;/h8-11,14,18H,3-7,12-13H2,1-2H3;1H