4-[(4-hexoxycarbonylphenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(4-hexoxycarbonylphenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(4-hexoxycarbonylanilino)-3,5-dinitro-benzoic acid CAS Name: 4-[4-[hexoxy(oxo)methyl]anilino]-3,5-dinitrobenzoic acid IUPAC Name: 4-(4-hexoxycarbonylanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(4-hexoxycarbonylanilino)-3,5-dinitro-benzoic acid Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-2-3-4-5-10-31-20(26)13-6-8-15(9-7-13)21-18-16(22(27)28)11-14(19(24)25)12-17(18)23(29)30/h6-9,11-12,21H,2-5,10H2,1H3,(H,24,25)