6-nitro-4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 6-nitro-4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 6-nitro-4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 6-nitro-4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 6-nitro-4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 6-nitro-4-phenyl-9H-$b-carboline-3-carboxylic acid Formula: C18H11N3O4 MolecularWeight: 333.29764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=CN=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=CN=C2C(=O)O

InChI

InChI=1S/C18H11N3O4/c22-18(23)17-15(10-4-2-1-3-5-10)16-12-8-11(21(24)25)6-7-13(12)20-14(16)9-19-17/h1-9,20H,(H,22,23)