5-bromanyl-1-nitro-4-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-1-nitro-4-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 4-benzyl-5-bromo-1-nitro-indole-2-carboxylic acid CAS Name: 5-bromo-1-nitro-4-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 4-benzyl-5-bromo-1-nitroindole-2-carboxylic acid Traditional Name: 4-benzyl-5-bromo-1-nitro-indole-2-carboxylic acid Formula: C16H11BrN2O4 MolecularWeight: 375.17354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC3=C2C=C(N3[N+](=O)[O-])C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC3=C2C=C(N3[N+](=O)[O-])C(=O)O)Br

InChI

InChI=1S/C16H11BrN2O4/c17-13-6-7-14-12(9-15(16(20)21)18(14)19(22)23)11(13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,21)