4-[2-(cyclohexen-1-yl)ethylamino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[2-(cyclohexen-1-yl)ethylamino]-3,5-dinitro-benzoic acid Openeye Name: 4-[2-(cyclohexen-1-yl)ethylamino]-3,5-dinitro-benzoic acid CAS Name: 4-[2-(1-cyclohexenyl)ethylamino]-3,5-dinitrobenzoic acid IUPAC Name: 4-[2-(cyclohexen-1-yl)ethylamino]-3,5-dinitrobenzoic acid Traditional Name: 4-[2-(cyclohexen-1-yl)ethylamino]-3,5-dinitro-benzoic acid Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c19-15(20)11-8-12(17(21)22)14(13(9-11)18(23)24)16-7-6-10-4-2-1-3-5-10/h4,8-9,16H,1-3,5-7H2,(H,19,20)