2-[2-(1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[2-(1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[2-(1H-indol-3-yl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-(1H-indol-3-yl)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[2-(1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15N3O4/c21-17(22)14-9-12(20(23)24)5-6-16(14)18-8-7-11-10-19-15-4-2-1-3-13(11)15/h1-6,9-10,18-19H,7-8H2,(H,21,22)