2-diethylaminoethyl 4-methyl-2-nitro-3-phenylmethoxy-benzoate

Systemtic Name: 2-diethylaminoethyl 4-methyl-2-nitro-3-phenylmethoxy-benzoate Openeye Name: 2-diethylaminoethyl 3-benzyloxy-4-methyl-2-nitro-benzoate CAS Name: 4-methyl-2-nitro-3-phenylmethoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-methyl-2-nitro-benzoic acid 2-diethylaminoethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-4-22(5-2)13-14-27-21(24)18-12-11-16(3)20(19(18)23(25)26)28-15-17-9-7-6-8-10-17/h6-12H,4-5,13-15H2,1-3H3