(phenylmethyl) 2-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-5-nitro-benzoate

Systemtic Name: (phenylmethyl) 2-[(1-methoxy-1-oxidanylidene-propan-2-yl)amino]-5-nitro-benzoate Openeye Name: benzyl 2-[(2-methoxy-1-methyl-2-oxo-ethyl)amino]-5-nitro-benzoate CAS Name: 2-[(1-methoxy-1-oxopropan-2-yl)amino]-5-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-methoxy-1-oxopropan-2-yl)amino]-5-nitrobenzoate Traditional Name: 2-[(2-keto-2-methoxy-1-methyl-ethyl)amino]-5-nitro-benzoic acid benzyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-12(17(21)25-2)19-16-9-8-14(20(23)24)10-15(16)18(22)26-11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3