2-[[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,5-dinitro-4-(propan-2-ylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]acetic acid CAS Name: 2-[[[3,5-dinitro-4-(propan-2-ylamino)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,5-dinitro-4-(propan-2-ylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(isopropylamino)-3,5-dinitro-benzoyl]amino]acetic acid Formula: C12H14N4O7 MolecularWeight: 326.26216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O7/c1-6(2)14-11-8(15(20)21)3-7(4-9(11)16(22)23)12(19)13-5-10(17)18/h3-4,6,14H,5H2,1-2H3,(H,13,19)(H,17,18)