methyl 4-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-13(2)15-7-5-6-8-16(15)21-19(23)12-28-18-10-9-14(20(24)27-3)11-17(18)22(25)26/h5-11,13H,4,12H2,1-3H3,(H,21,23)/t13-/m0/s1