2-diethylaminoethyl 4-nitrobenzoate; 4-nitrobenzoic acid

Systemtic Name: 2-diethylaminoethyl 4-nitrobenzoate; 4-nitrobenzoic acid Openeye Name: 2-diethylaminoethyl 4-nitrobenzoate; 4-nitrobenzoic acid CAS Name: 4-nitrobenzoic acid; 4-nitrobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-nitrobenzoate; 4-nitrobenzoic acid Traditional Name: 4-nitrobenzoic acid; 4-nitrobenzoic acid 2-diethylaminoethyl ester Formula: C20H23N3O8 MolecularWeight: 433.41192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4.C7H5NO4/c1-3-14(4-2)9-10-19-13(16)11-5-7-12(8-6-11)15(17)18;9-7(10)5-1-3-6(4-2-5)8(11)12/h5-8H,3-4,9-10H2,1-2H3;1-4H,(H,9,10)