4-[(2,4-dinitronaphthalen-1-yl)amino]butanoate

Systemtic Name: 4-[(2,4-dinitronaphthalen-1-yl)amino]butanoate Openeye Name: 4-[(2,4-dinitro-1-naphthyl)amino]butanoate CAS Name: 4-[(2,4-dinitro-1-naphthalenyl)amino]butanoate IUPAC Name: 4-[(2,4-dinitronaphthalen-1-yl)amino]butanoate Traditional Name: 4-[(2,4-dinitro-1-naphthyl)amino]butyrate Formula: C14H12N3O6- MolecularWeight: 318.26158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2NCCCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NCCCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6/c18-13(19)6-3-7-15-14-10-5-2-1-4-9(10)11(16(20)21)8-12(14)17(22)23/h1-2,4-5,8,15H,3,6-7H2,(H,18,19)/p-1