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azepane; 3-nitrobenzoic acid

azepane; 3-nitrobenzoic acid

Systemtic Name:azepane; 3-nitrobenzoic acid
Openeye Name:azepane; 3-nitrobenzoic acid
CAS Name:azepane; 3-nitrobenzoic acid
IUPAC Name:azepane; 3-nitrobenzoic acid
Traditional Name:azepane; 3-nitrobenzoic acid
Formula: C13H18N2O4
MolecularWeight: 266.29302
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1CCCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C7H5NO4.C6H13N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-4-6-7-5-3-1/h1-4H,(H,9,10);7H,1-6H2


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