4-[(4-ethoxyphenyl)amino]-3,5-dinitro-benzoate

Systemtic Name: 4-[(4-ethoxyphenyl)amino]-3,5-dinitro-benzoate Openeye Name: 4-(4-ethoxyanilino)-3,5-dinitro-benzoate CAS Name: 4-(4-ethoxyanilino)-3,5-dinitrobenzoate IUPAC Name: 4-(4-ethoxyanilino)-3,5-dinitrobenzoate Traditional Name: 3,5-dinitro-4-(p-phenetidino)benzoate Formula: C15H12N3O7- MolecularWeight: 346.27168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7/c1-2-25-11-5-3-10(4-6-11)16-14-12(17(21)22)7-9(15(19)20)8-13(14)18(23)24/h3-8,16H,2H2,1H3,(H,19,20)/p-1