1-(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonyl-5-methyl-indole-2,3-dione

Systemtic Name: 1-(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonyl-5-methyl-indole-2,3-dione Openeye Name: 1-[3,5-dinitro-4-(1-piperidyl)benzoyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]-5-methylindole-2,3-dione IUPAC Name: 1-(3,5-dinitro-4-piperidin-1-ylbenzoyl)-5-methylindole-2,3-dione Traditional Name: 1-(3,5-dinitro-4-piperidino-benzoyl)-5-methyl-isatin Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-12-5-6-15-14(9-12)19(26)21(28)23(15)20(27)13-10-16(24(29)30)18(17(11-13)25(31)32)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3