ethyl 2-methyl-4,6-dinitro-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-4,6-dinitro-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-phenyl-indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4,6-dinitro-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-phenylindole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4,6-dinitro-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])O)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])O)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H15N3O7/c1-3-28-18(23)14-10(2)19(11-7-5-4-6-8-11)12-9-13(20(24)25)17(22)16(15(12)14)21(26)27/h4-9,22H,3H2,1-2H3