phenyl 2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]ethanoate

Systemtic Name: phenyl 2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]ethanoate Openeye Name: phenyl 2-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]acetate CAS Name: 2-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]acetic acid phenyl ester IUPAC Name: phenyl 2-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dinitro-4-piperidino-benzoyl)amino]acetic acid phenyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7/c25-18(31-15-7-3-1-4-8-15)13-21-20(26)14-11-16(23(27)28)19(17(12-14)24(29)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2,(H,21,26)