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4-(cyclohexylamino)-3,5-dinitro-benzoic acid

4-(cyclohexylamino)-3,5-dinitro-benzoic acid

Systemtic Name:4-(cyclohexylamino)-3,5-dinitro-benzoic acid
Openeye Name:4-(cyclohexylamino)-3,5-dinitro-benzoic acid
CAS Name:4-(cyclohexylamino)-3,5-dinitrobenzoic acid
IUPAC Name:4-(cyclohexylamino)-3,5-dinitrobenzoic acid
Traditional Name:4-(cyclohexylamino)-3,5-dinitro-benzoic acid
Formula: C13H15N3O6
MolecularWeight: 309.2747
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C13H15N3O6/c17-13(18)8-6-10(15(19)20)12(11(7-8)16(21)22)14-9-4-2-1-3-5-9/h6-7,9,14H,1-5H2,(H,17,18)


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