[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c1-3-25-13-7-4-10(8-12(13)19(23)24)15(21)26-9(2)14(20)18-16(22)17-11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H2,17,18,20,22)