5-nitro-3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-nitro-3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 5-nitro-3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 5-nitro-3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-nitro-3-[(3-nitrophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 5-nitro-3-(3-nitrobenzyl)-1H-indole-2-carboxylic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11N3O6/c20-16(21)15-13(7-9-2-1-3-10(6-9)18(22)23)12-8-11(19(24)25)4-5-14(12)17-15/h1-6,8,17H,7H2,(H,20,21)