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

Systemtic Name: 5-nitro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-nitro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-nitro-1-[(3-nitrophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-nitro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-nitro-1-(3-nitrobenzyl)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-])CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=C2C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=C2C(=O)O

InChI

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