[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O6/c1-4-17-12-6-5-11(7-13(12)20(24)25)15(22)26-9-14(21)19-16(23)18-8-10(2)3/h5-7,10,17H,4,8-9H2,1-3H3,(H2,18,19,21,23)