methyl 4-(5,7-dinitro-2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(5,7-dinitro-2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(5,7-dinitroindolin-1-yl)-4-oxo-butanoate CAS Name: 4-(5,7-dinitro-2,3-dihydroindol-1-yl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(5,7-dinitro-2,3-dihydroindol-1-yl)-4-oxobutanoate Traditional Name: 4-(5,7-dinitroindolin-1-yl)-4-keto-butyric acid methyl ester Formula: C13H13N3O7 MolecularWeight: 323.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O7/c1-23-12(18)3-2-11(17)14-5-4-8-6-9(15(19)20)7-10(13(8)14)16(21)22/h6-7H,2-5H2,1H3