8-nitro-10H-[1]benzofuro[3,2-b]indole-1-carboxylic acid dihydrate

Systemtic Name: 8-nitro-10H-[1]benzofuro[3,2-b]indole-1-carboxylic acid dihydrate Openeye Name: 8-nitro-10H-benzofuro[3,2-b]indole-1-carboxylic acid dihydrate CAS Name: 8-nitro-10H-benzofuro[3,2-b]indole-1-carboxylic acid dihydrate IUPAC Name: 8-nitro-10H-[1]benzofuro[3,2-b]indole-1-carboxylic acid dihydrate Traditional Name: 8-nitro-10H-benzofur[3,2-b]indole-1-carboxylic acid dihydrate Formula: C15H12N2O7 MolecularWeight: 332.26498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)O)NC3=C2OC4=C3C=C(C=C4)[N+](=O)[O-].O.O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)O)NC3=C2OC4=C3C=C(C=C4)[N+](=O)[O-].O.O

InChI

InChI=1S/C15H8N2O5.2H2O/c18-15(19)9-3-1-2-8-12(9)16-13-10-6-7(17(20)21)4-5-11(10)22-14(8)13;;/h1-6,16H,(H,18,19);2*1H2