2-oxidanylidenepropyl 4-azanyl-3-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-azanyl-3-nitro-benzoate Openeye Name: acetonyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid acetonyl ester Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5/c1-6(13)5-17-10(14)7-2-3-8(11)9(4-7)12(15)16/h2-4H,5,11H2,1H3