N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trinitro-aniline

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trinitro-aniline Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trinitro-aniline CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trinitroaniline IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trinitroaniline Traditional Name: 2-(1H-indol-3-yl)ethyl-picryl-amine Formula: C16H13N5O6 MolecularWeight: 371.30432

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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-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O6/c22-19(23)11-7-14(20(24)25)16(15(8-11)21(26)27)17-6-5-10-9-18-13-4-2-1-3-12(10)13/h1-4,7-9,17-18H,5-6H2