5-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one

Systemtic Name: 5-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Openeye Name: 5-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one CAS Name: 5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one IUPAC Name: 5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Traditional Name: 5-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one Formula: C25H22BrNO3 MolecularWeight: 464.35108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)Br)O

InChI

InChI=1S/C25H22BrNO3/c1-2-30-21-13-15(12-18(26)25(21)29)24-23-17(8-5-9-20(23)28)22-16-7-4-3-6-14(16)10-11-19(22)27-24/h3-4,6-7,10-13,24,27,29H,2,5,8-9H2,1H3