2-diethylaminoethyl 4-[(3,5-dinitrophenyl)carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3,5-dinitrophenyl)carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7/c1-3-22(4-2)9-10-31-20(26)14-5-7-16(8-6-14)21-19(25)15-11-17(23(27)28)13-18(12-15)24(29)30/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,25)