[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C24H29N3O8 MolecularWeight: 487.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H29N3O8/c1-4-33-21-14-20(26-8-10-32-11-9-26)22(34-5-2)13-18(21)25-23(28)15-35-24(29)17-6-7-19(27(30)31)16(3)12-17/h6-7,12-14H,4-5,8-11,15H2,1-3H3,(H,25,28)