2-chloranyl-3-[3-(2-nitroimidazol-1-yl)propylamino]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[3-(2-nitroimidazol-1-yl)propylamino]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[3-(2-nitroimidazol-1-yl)propylamino]naphthalene-1,4-dione CAS Name: 2-chloro-3-[3-(2-nitro-1-imidazolyl)propylamino]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[3-(2-nitroimidazol-1-yl)propylamino]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[3-(2-nitroimidazol-1-yl)propylamino]-1,4-naphthoquinone Formula: C16H13ClN4O4 MolecularWeight: 360.75182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCN3C=CN=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCN3C=CN=C3[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O4/c17-12-13(15(23)11-5-2-1-4-10(11)14(12)22)18-6-3-8-20-9-7-19-16(20)21(24)25/h1-2,4-5,7,9,18H,3,6,8H2