ethyl 3-[[4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-[2-(dimethylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[2-(dimethylamino)-2-keto-ethoxy]-3-methoxy-benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=C(C=C2)OCC(=O)N(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=C(C=C2)OCC(=O)N(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8/c1-5-32-22(28)16-9-15(10-17(11-16)25(29)30)21(27)23-12-14-6-7-18(19(8-14)31-4)33-13-20(26)24(2)3/h6-11H,5,12-13H2,1-4H3,(H,23,27)