methyl 4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)benzoate

Systemtic Name: methyl 4-(4-oxidanylidene-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)benzoate Openeye Name: methyl 4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)benzoate CAS Name: 4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)benzoate Traditional Name: 4-(4-keto-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)benzoic acid methyl ester Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO3/c1-29-25(28)17-11-9-16(10-12-17)24-23-19(7-4-8-21(23)27)22-18-6-3-2-5-15(18)13-14-20(22)26-24/h2-3,5-6,9-14,24,26H,4,7-8H2,1H3