[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C23H26N2O9 MolecularWeight: 474.46054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

InChI

InChI=1S/C23H26N2O9/c1-4-6-11-33-22(27)15-7-9-16(10-8-15)24-21(26)14-34-23(28)17-12-20(32-5-2)19(31-3)13-18(17)25(29)30/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,24,26)