[2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] 4-bromanylbenzoate

Systemtic Name: [2-methoxy-4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] 4-bromanylbenzoate Openeye Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] ester IUPAC Name: [2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)-2-methoxy-phenyl] ester Formula: C31H24BrNO4 MolecularWeight: 554.43056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54)OC(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C31H24BrNO4/c1-36-27-17-20(12-16-26(27)37-31(35)19-9-13-21(32)14-10-19)30-29-23(7-4-8-25(29)34)28-22-6-3-2-5-18(22)11-15-24(28)33-30/h2-3,5-6,9-17,30,33H,4,7-8H2,1H3