(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 5-nitrofuran-2-carboxylate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 5-nitrofuran-2-carboxylate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5/c15-11(8-5-6-10(18-8)14(16)17)19-13-9-4-2-1-3-7-12-9/h5-6H,1-4,7H2,(H,12,13)