[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-hexoxybenzoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-hexoxybenzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7/c1-3-4-5-6-13-30-17-9-7-16(8-10-17)22(26)31-15-21(25)23-19-12-11-18(29-2)14-20(19)24(27)28/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,25)