methyl (2S,4S)-4-[(2,4-dinitrophenyl)amino]-2-(1H-indol-3-ylmethyl)-5-oxidanylidene-oxolane-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(2,4-dinitrophenyl)amino]-2-(1H-indol-3-ylmethyl)-5-oxidanylidene-oxolane-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2,4-dinitroanilino)-2-(1H-indol-3-ylmethyl)-5-oxo-tetrahydrofuran-2-carboxylate CAS Name: (2S,4S)-4-(2,4-dinitroanilino)-2-(1H-indol-3-ylmethyl)-5-oxo-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2,4-dinitroanilino)-2-(1H-indol-3-ylmethyl)-5-oxooxolane-2-carboxylate Traditional Name: (2S,4S)-4-(2,4-dinitroanilino)-2-(1H-indol-3-ylmethyl)-5-keto-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C21H18N4O8 MolecularWeight: 454.38962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(=O)O1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@@]1(C[C@@H](C(=O)O1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O8/c1-32-20(27)21(9-12-11-22-15-5-3-2-4-14(12)15)10-17(19(26)33-21)23-16-7-6-13(24(28)29)8-18(16)25(30)31/h2-8,11,17,22-23H,9-10H2,1H3/t17-,21-/m0/s1