6-chloranyl-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-chloranyl-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-chloro-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzo[de]isoquinoline-1,3-dione CAS Name: 6-chloro-2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)amino]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-chloro-2-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-chloro-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]benzo[de]isoquinoline-1,3-quinone Formula: C17H12ClN5O4 MolecularWeight: 385.76128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NN2C(=O)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NN2C(=O)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O)C

InChI

InChI=1S/C17H12ClN5O4/c1-8-14(23(26)27)15(21(2)19-8)20-22-16(24)10-5-3-4-9-12(18)7-6-11(13(9)10)17(22)25/h3-7,20H,1-2H3