naphthalen-1-amine; pentyl 3,5-dinitrobenzoate

Systemtic Name: naphthalen-1-amine; pentyl 3,5-dinitrobenzoate Openeye Name: naphthalen-1-amine; pentyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid pentyl ester; 1-naphthalenamine IUPAC Name: naphthalen-1-amine; pentyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid amyl ester; 1-naphthylamine Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C2C(=C1)C=CC=C2N

Isomeric SMILES

CCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C2C(=C1)C=CC=C2N

InChI

InChI=1S/C12H14N2O6.C10H9N/c1-2-3-4-5-20-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19;11-10-7-3-5-8-4-1-2-6-9(8)10/h6-8H,2-5H2,1H3;1-7H,11H2