4-diazanyl-2,3-dimethyl-benzoic acid; 2-oxidanylidenepropanal

Systemtic Name: 4-diazanyl-2,3-dimethyl-benzoic acid; 2-oxidanylidenepropanal Openeye Name: 4-hydrazino-2,3-dimethyl-benzoic acid; 2-oxopropanal CAS Name: 4-hydrazinyl-2,3-dimethylbenzoic acid; 2-oxopropanal IUPAC Name: 4-hydrazinyl-2,3-dimethylbenzoic acid; 2-oxopropanal Traditional Name: 4-hydrazino-2,3-dimethyl-benzoic acid; 2-ketopropionaldehyde Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)NN)C(=O)O.CC1=C(C=CC(=C1C)NN)C(=O)O.CC(=O)C=O

Isomeric SMILES

CC1=C(C=CC(=C1C)NN)C(=O)O.CC1=C(C=CC(=C1C)NN)C(=O)O.CC(=O)C=O

InChI

InChI=1S/2C9H12N2O2.C3H4O2/c2*1-5-6(2)8(11-10)4-3-7(5)9(12)13;1-3(5)2-4/h2*3-4,11H,10H2,1-2H3,(H,12,13);2H,1H3