2-diethylaminoethyl 4-[(3-methyl-2-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3-methyl-2-nitro-phenyl)carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(3-methyl-2-nitro-benzoyl)amino]benzoate CAS Name: 4-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3-methyl-2-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(3-methyl-2-nitro-benzoyl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-23(5-2)13-14-29-21(26)16-9-11-17(12-10-16)22-20(25)18-8-6-7-15(3)19(18)24(27)28/h6-12H,4-5,13-14H2,1-3H3,(H,22,25)