(3S)-7-nitro-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-7-nitro-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-nitro-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-nitro-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-nitro-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-1-keto-7-nitro-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Formula: C10H8N2O5 MolecularWeight: 236.18092

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1[C@H](NC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H8N2O5/c13-9-7-4-6(12(16)17)2-1-5(7)3-8(11-9)10(14)15/h1-2,4,8H,3H2,(H,11,13)(H,14,15)/t8-/m0/s1