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

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitro-aniline Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitro-aniline CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[2-(1H-indol-3-yl)ethyl]amine Formula: C16H14N4O4 MolecularWeight: 326.30676

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4/c21-19(22)12-5-6-15(16(9-12)20(23)24)17-8-7-11-10-18-14-4-2-1-3-13(11)14/h1-6,9-10,17-18H,7-8H2