2-oxidanylidenepropyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: 2-oxidanylidenepropyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: acetonyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid acetonyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O5/c1-12(20)11-24-17(21)15-9-14(19(22)23)7-8-16(15)18-10-13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3