O1-ethyl O3-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O8/c1-3-29-19(24)14-8-15(10-16(9-14)22(26)27)20(25)30-12-18(23)21-11-13-5-4-6-17(7-13)28-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)