methyl (2S)-2-[(5,7-dinitro-2,3-dihydroindol-1-yl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[(5,7-dinitro-2,3-dihydroindol-1-yl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[(5,7-dinitroindoline-1-carbonyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(5,7-dinitro-2,3-dihydroindol-1-yl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5,7-dinitro-2,3-dihydroindole-1-carbonyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(5,7-dinitroindoline-1-carbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C13H14N4O8 MolecularWeight: 354.27226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)N1CCC2=CC(=CC(=C21)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O8/c1-25-12(19)9(6-18)14-13(20)15-3-2-7-4-8(16(21)22)5-10(11(7)15)17(23)24/h4-5,9,18H,2-3,6H2,1H3,(H,14,20)/t9-/m0/s1