2-oxidanylidenepropyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: acetonyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid acetonyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-8(16)7-20-13(17)9-2-5-11(14-10-3-4-10)12(6-9)15(18)19/h2,5-6,10,14H,3-4,7H2,1H3