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

Systemtic Name: 1-[(3-cyanophenyl)methyl]-5-nitro-indole-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-5-nitro-indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-5-nitro-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-5-nitroindole-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-5-nitro-indole-2-carboxylic acid Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O4/c18-9-11-2-1-3-12(6-11)10-19-15-5-4-14(20(23)24)7-13(15)8-16(19)17(21)22/h1-8H,10H2,(H,21,22)