ethyl 2-[(5,7-dinitro-2,3-dihydroindol-1-yl)carbonylamino]ethanoate

Systemtic Name: ethyl 2-[(5,7-dinitro-2,3-dihydroindol-1-yl)carbonylamino]ethanoate Openeye Name: ethyl 2-[(5,7-dinitroindoline-1-carbonyl)amino]acetate CAS Name: 2-[[(5,7-dinitro-2,3-dihydroindol-1-yl)-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5,7-dinitro-2,3-dihydroindole-1-carbonyl)amino]acetate Traditional Name: 2-[(5,7-dinitroindoline-1-carbonyl)amino]acetic acid ethyl ester Formula: C13H14N4O7 MolecularWeight: 338.27286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O7/c1-2-24-11(18)7-14-13(19)15-4-3-8-5-9(16(20)21)6-10(12(8)15)17(22)23/h5-6H,2-4,7H2,1H3,(H,14,19)