3-oxidanylidenebutan-2-yl 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-nitro-4-phenylazanyl-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-11(20)12(2)24-17(21)13-8-9-15(16(10-13)19(22)23)18-14-6-4-3-5-7-14/h3-10,12,18H,1-2H3