[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-3-17-16(23)19-14(21)9(2)26-15(22)10-4-7-12(18-11-5-6-11)13(8-10)20(24)25/h4,7-9,11,18H,3,5-6H2,1-2H3,(H2,17,19,21,23)