(2-methoxy-2-oxidanylidene-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-24-16(20)11-25-17(21)13-7-8-14(15(9-13)19(22)23)18-10-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3