[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C14H18N4O7 MolecularWeight: 354.31532

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O7/c1-15-10-4-3-9(7-11(10)18(22)23)13(20)25-8-12(19)17-14(21)16-5-6-24-2/h3-4,7,15H,5-6,8H2,1-2H3,(H2,16,17,19,21)