dimethyl 5-[3-[(4-nitrophenyl)carbonylamino]propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(4-nitrophenyl)carbonylamino]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-nitrobenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-nitrobenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[(4-nitrobenzoyl)amino]propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19N3O8 MolecularWeight: 429.38016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N3O8/c1-30-19(26)13-9-14(20(27)31-2)11-15(10-13)22-17(24)7-8-21-18(25)12-3-5-16(6-4-12)23(28)29/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)(H,22,24)