2-oxidanylidenepropyl 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 3-nitro-4-phenylazanyl-benzoate Openeye Name: acetonyl 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid acetonyl ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c1-11(19)10-23-16(20)12-7-8-14(15(9-12)18(21)22)17-13-5-3-2-4-6-13/h2-9,17H,10H2,1H3