3,5-dinitro-2-(1-oxidanylbutan-2-ylamino)benzoic acid

Systemtic Name: 3,5-dinitro-2-(1-oxidanylbutan-2-ylamino)benzoic acid Openeye Name: 2-[1-(hydroxymethyl)propylamino]-3,5-dinitro-benzoic acid CAS Name: 2-(1-hydroxybutan-2-ylamino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(1-hydroxybutan-2-ylamino)-3,5-dinitrobenzoic acid Traditional Name: 2-(1-methylolpropylamino)-3,5-dinitro-benzoic acid Formula: C11H13N3O7 MolecularWeight: 299.23682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O7/c1-2-6(5-15)12-10-8(11(16)17)3-7(13(18)19)4-9(10)14(20)21/h3-4,6,12,15H,2,5H2,1H3,(H,16,17)