3-[(2,4-dinitronaphthalen-1-yl)amino]propanoic acid

Systemtic Name: 3-[(2,4-dinitronaphthalen-1-yl)amino]propanoic acid Openeye Name: 3-[(2,4-dinitro-1-naphthyl)amino]propanoic acid CAS Name: 3-[(2,4-dinitro-1-naphthalenyl)amino]propanoic acid IUPAC Name: 3-[(2,4-dinitronaphthalen-1-yl)amino]propanoic acid Traditional Name: 3-[(2,4-dinitro-1-naphthyl)amino]propionic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2NCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c17-12(18)5-6-14-13-9-4-2-1-3-8(9)10(15(19)20)7-11(13)16(21)22/h1-4,7,14H,5-6H2,(H,17,18)