4-[(3,4-dinitronaphthalen-1-yl)-ethanoyl-amino]butanoic acid

Systemtic Name: 4-[(3,4-dinitronaphthalen-1-yl)-ethanoyl-amino]butanoic acid Openeye Name: 4-[acetyl-(3,4-dinitro-1-naphthyl)amino]butanoic acid CAS Name: 4-[acetyl-(3,4-dinitro-1-naphthalenyl)amino]butanoic acid IUPAC Name: 4-[acetyl-(3,4-dinitronaphthalen-1-yl)amino]butanoic acid Traditional Name: 4-[acetyl-(3,4-dinitro-1-naphthyl)amino]butyric acid Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCC(=O)O)C1=CC(=C(C2=CC=CC=C21)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CCCC(=O)O)C1=CC(=C(C2=CC=CC=C21)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7/c1-10(20)17(8-4-7-15(21)22)13-9-14(18(23)24)16(19(25)26)12-6-3-2-5-11(12)13/h2-3,5-6,9H,4,7-8H2,1H3,(H,21,22)