4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzoate

Systemtic Name: 4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzoate Openeye Name: 4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzoate CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]-3-nitrobenzoate IUPAC Name: 4-[2-(1H-indol-3-yl)ethylamino]-3-nitrobenzoate Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]-3-nitro-benzoate Formula: C17H14N3O4- MolecularWeight: 324.31076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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