2-[[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(3S)-6-chlorochromane-3-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(3S)-6-chlorochroman-3-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C17H14ClN2O5- MolecularWeight: 361.75646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H15ClN2O5/c18-13-1-4-16-10(6-13)5-12(9-25-16)17(22)19-8-11-7-14(20(23)24)2-3-15(11)21/h1-4,6-7,12,21H,5,8-9H2,(H,19,22)/p-1/t12-/m0/s1