4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-[(1-ethoxycarbonyl-4-piperidyl)amino]-3,5-dinitro-benzoic acid CAS Name: 4-[(1-ethoxycarbonyl-4-piperidinyl)amino]-3,5-dinitrobenzoic acid IUPAC Name: 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-3,5-dinitrobenzoic acid Traditional Name: 4-[(1-carbethoxy-4-piperidyl)amino]-3,5-dinitro-benzoic acid Formula: C15H18N4O8 MolecularWeight: 382.32542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O8/c1-2-27-15(22)17-5-3-10(4-6-17)16-13-11(18(23)24)7-9(14(20)21)8-12(13)19(25)26/h7-8,10,16H,2-6H2,1H3,(H,20,21)