2-(cyclohexylamino)butyl 4-nitrobenzoate; 2-oxidanylethanoic acid

Systemtic Name: 2-(cyclohexylamino)butyl 4-nitrobenzoate; 2-oxidanylethanoic acid Openeye Name: 2-(cyclohexylamino)butyl 4-nitrobenzoate; 2-hydroxyacetic acid CAS Name: 2-hydroxyacetic acid; 4-nitrobenzoic acid 2-(cyclohexylamino)butyl ester IUPAC Name: 2-(cyclohexylamino)butyl 4-nitrobenzoate; 2-hydroxyacetic acid Traditional Name: glycolic acid; 4-nitrobenzoic acid 2-(cyclohexylamino)butyl ester Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2CCCCC2.C(C(=O)O)O

Isomeric SMILES

CCC(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2CCCCC2.C(C(=O)O)O

InChI

InChI=1S/C17H24N2O4.C2H4O3/c1-2-14(18-15-6-4-3-5-7-15)12-23-17(20)13-8-10-16(11-9-13)19(21)22;3-1-2(4)5/h8-11,14-15,18H,2-7,12H2,1H3;3H,1H2,(H,4,5)