N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3,5-dinitro-benzamide Openeye Name: N-[(4S)-chroman-4-yl]-3,5-dinitro-benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3,5-dinitrobenzamide Traditional Name: N-[(4S)-chroman-4-yl]-3,5-dinitro-benzamide Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c20-16(10-7-11(18(21)22)9-12(8-10)19(23)24)17-14-5-6-25-15-4-2-1-3-13(14)15/h1-4,7-9,14H,5-6H2,(H,17,20)/t14-/m0/s1