[2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-furyl]-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-[5-(acetamidomethyl)-2-furanyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)furan-2-yl]-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-[5-(acetamidomethyl)-2-furyl]-2-keto-ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC=C(O1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7/c1-15(26)23-13-17-7-9-21(32-17)20(27)14-31-22(28)16-6-8-18(19(12-16)25(29)30)24-10-4-2-3-5-11-24/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,23,26)