4-(azepan-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(2-furfurylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c25-19(21-13-16-6-5-11-29-16)14-22-20(26)15-7-8-17(18(12-15)24(27)28)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13-14H2,(H,21,25)(H,22,26)