3-(2-azanylethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-azanylethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-(2-aminoethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylic acid CAS Name: 3-(2-aminoethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-aminoethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-(2-aminoethyl)-7-methoxy-5-nitro-1H-indole-2-carboxylic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(N2)C(=O)O)CCN

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(N2)C(=O)O)CCN

InChI

InChI=1S/C12H13N3O5/c1-20-9-5-6(15(18)19)4-8-7(2-3-13)11(12(16)17)14-10(8)9/h4-5,14H,2-3,13H2,1H3,(H,16,17)