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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN2O5/c1-7(12(17)15-9-3-4-9)21-13(18)10-5-2-8(14)6-11(10)16(19)20/h2,5-7,9H,3-4H2,1H3,(H,15,17)