O1-ethyl O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H20N2O9 MolecularWeight: 444.3915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O9/c1-3-31-20(26)15-8-16(10-17(9-15)23(28)29)21(27)32-12-18(24)22-11-13-4-6-14(7-5-13)19(25)30-2/h4-10H,3,11-12H2,1-2H3,(H,22,24)