5,7-dinitro-N-(phenylmethyl)quinolin-8-amine

Systemtic Name: 5,7-dinitro-N-(phenylmethyl)quinolin-8-amine Openeye Name: N-benzyl-5,7-dinitro-quinolin-8-amine CAS Name: 5,7-dinitro-N-(phenylmethyl)-8-quinolinamine IUPAC Name: N-benzyl-5,7-dinitroquinolin-8-amine Traditional Name: benzyl-(5,7-dinitro-8-quinolyl)amine Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4/c21-19(22)13-9-14(20(23)24)16(15-12(13)7-4-8-17-15)18-10-11-5-2-1-3-6-11/h1-9,18H,10H2