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

Systemtic Name: 3-nitro-N4-(phenylmethyl)quinoline-2,4-diamine Openeye Name: N4-benzyl-3-nitro-quinoline-2,4-diamine CAS Name: 3-nitro-N4-(phenylmethyl)quinoline-2,4-diamine IUPAC Name: 4-N-benzyl-3-nitroquinoline-2,4-diamine Traditional Name: (2-amino-3-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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2/c17-16-15(20(21)22)14(12-8-4-5-9-13(12)19-16)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,17,18,19)