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

Systemtic Name: [2-[ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[ethyl-[2-(ethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[ethyl-[2-(ethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C20H28N4O6 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O6/c1-3-21-18(25)13-22(4-2)19(26)14-30-20(27)15-8-9-16(17(12-15)24(28)29)23-10-6-5-7-11-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,21,25)