2-(heptylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(heptylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(heptylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(heptylamino)ethyl ester hydrochloride IUPAC Name: 2-(heptylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(heptylamino)ethyl ester hydrochloride Formula: C16H25ClN2O4 MolecularWeight: 344.8337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4.ClH/c1-2-3-4-5-6-11-17-12-13-22-16(19)14-7-9-15(10-8-14)18(20)21;/h7-10,17H,2-6,11-13H2,1H3;1H