2-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C21H14BrN3O6 MolecularWeight: 484.25636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C=C(C1=O)Br

Isomeric SMILES

CCOC1=CC(=CNN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C=C(C1=O)Br

InChI

InChI=1S/C21H14BrN3O6/c1-2-31-17-9-11(8-15(22)19(17)26)10-23-24-20(27)13-5-3-4-12-16(25(29)30)7-6-14(18(12)13)21(24)28/h3-10,23H,2H2,1H3