(phenylmethyl) 4-(2-diethylaminoethylamino)-3-nitro-benzoate

Systemtic Name: (phenylmethyl) 4-(2-diethylaminoethylamino)-3-nitro-benzoate Openeye Name: benzyl 4-(2-diethylaminoethylamino)-3-nitro-benzoate CAS Name: 4-(2-diethylaminoethylamino)-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-diethylaminoethylamino)-3-nitrobenzoate Traditional Name: 4-(2-diethylaminoethylamino)-3-nitro-benzoic acid benzyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4/c1-3-22(4-2)13-12-21-18-11-10-17(14-19(18)23(25)26)20(24)27-15-16-8-6-5-7-9-16/h5-11,14,21H,3-4,12-13,15H2,1-2H3