methyl 4-[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[4-(isobutyrylamino)phenyl]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-12(2)19(24)21-15-7-4-13(5-8-15)17(23)11-29-18-9-6-14(20(25)28-3)10-16(18)22(26)27/h4-10,12H,11H2,1-3H3,(H,21,24)