3-azanylpropanoic acid; nitrobenzene

Systemtic Name: 3-azanylpropanoic acid; nitrobenzene Openeye Name: 3-aminopropanoic acid; nitrobenzene CAS Name: 3-aminopropanoic acid; nitrobenzene IUPAC Name: 3-aminopropanoic acid; nitrobenzene Traditional Name: 3-aminopropionic acid; nitrobenzene Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C(CN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C(CN)C(=O)O

InChI

InChI=1S/C6H5NO2.C3H7NO2/c8-7(9)6-4-2-1-3-5-6;4-2-1-3(5)6/h1-5H;1-2,4H2,(H,5,6)