2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

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