methyl 4-[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(1-naphthylamino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c1-13(20(24)22-17-9-5-7-14-6-3-4-8-16(14)17)29-19-11-10-15(21(25)28-2)12-18(19)23(26)27/h3-13H,1-2H3,(H,22,24)/t13-/m1/s1