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

Systemtic Name: 2-(heptan-4-ylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(1-propylbutylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(heptan-4-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(heptan-4-ylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(1-propylbutylamino)ethyl ester hydrochloride Formula: C16H25ClN2O4 MolecularWeight: 344.8337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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