dimethyl 1-[3-[(3,5-dinitrophenyl)carbonylamino]propyl]indole-2,3-dicarboxylate

Systemtic Name: dimethyl 1-[3-[(3,5-dinitrophenyl)carbonylamino]propyl]indole-2,3-dicarboxylate Openeye Name: dimethyl 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]indole-2,3-dicarboxylate CAS Name: 1-[3-[[(3,5-dinitrophenyl)-oxomethyl]amino]propyl]indole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]indole-2,3-dicarboxylate Traditional Name: 1-[3-[(3,5-dinitrobenzoyl)amino]propyl]indole-2,3-dicarboxylic acid dimethyl ester Formula: C22H20N4O9 MolecularWeight: 484.4156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C21)CCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C21)CCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20N4O9/c1-34-21(28)18-16-6-3-4-7-17(16)24(19(18)22(29)35-2)9-5-8-23-20(27)13-10-14(25(30)31)12-15(11-13)26(32)33/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,27)