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

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C16H20N4O7 MolecularWeight: 380.3526

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O7/c1-26-7-6-17-16(23)19-14(21)9-27-15(22)10-2-5-12(18-11-3-4-11)13(8-10)20(24)25/h2,5,8,11,18H,3-4,6-7,9H2,1H3,(H2,17,19,21,23)