4-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-furylmethyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-furanylmethyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-furfuryl)-3-nitro-benzamide Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c22-18(19-13-15-6-5-11-25-15)14-7-8-16(17(12-14)21(23)24)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10,13H2,(H,19,22)