butyl 4-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: butyl 4-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: butyl 4-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethoxy]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethoxy]benzoic acid butyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-5-10-29-21(25)15-6-8-16(9-7-15)30-13-20(24)22-17-12-19(28-3)18(23(26)27)11-14(17)2/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,24)