[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-[methyl-[(5-methyl-2-furyl)methyl]amino]ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-15-6-8-17(30-15)13-22(2)20(25)14-29-21(26)16-7-9-18(19(12-16)24(27)28)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11,13-14H2,1-2H3