[2-(ethylcarbamoyl)-4,6-dinitro-phenyl] benzoate

Systemtic Name: [2-(ethylcarbamoyl)-4,6-dinitro-phenyl] benzoate Openeye Name: [2-(ethylcarbamoyl)-4,6-dinitro-phenyl] benzoate CAS Name: benzoic acid [2-(ethylcarbamoyl)-4,6-dinitrophenyl] ester IUPAC Name: [2-(ethylcarbamoyl)-4,6-dinitrophenyl] benzoate Traditional Name: benzoic acid [2-(ethylcarbamoyl)-4,6-dinitro-phenyl] ester Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c1-2-17-15(20)12-8-11(18(22)23)9-13(19(24)25)14(12)26-16(21)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,20)