2-nitro-N4-(phenylmethyl)quinoline-3,4-diamine

Systemtic Name: 2-nitro-N4-(phenylmethyl)quinoline-3,4-diamine Openeye Name: N4-benzyl-2-nitro-quinoline-3,4-diamine CAS Name: 2-nitro-N4-(phenylmethyl)quinoline-3,4-diamine IUPAC Name: 4-N-benzyl-2-nitroquinoline-3,4-diamine Traditional Name: (3-amino-2-nitro-4-quinolyl)-benzyl-amine Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N4O2/c17-14-15(18-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-16(14)20(21)22/h1-9H,10,17H2,(H,18,19)