[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-18(2)11-6-3-9(7-12(11)19(23)24)14(21)25-8-13(20)17-15(22)16-10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H2,16,17,20,22)