6-(3-methoxy-5-nitro-2-oxidanyl-phenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

Systemtic Name: 6-(3-methoxy-5-nitro-2-oxidanyl-phenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Openeye Name: 6-(2-hydroxy-3-methoxy-5-nitro-phenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine CAS Name: 6-(2-hydroxy-3-methoxy-5-nitrophenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide IUPAC Name: 6-(2-hydroxy-3-methoxy-5-nitrophenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Traditional Name: 6-(2-hydroxy-3-methoxy-5-nitro-phenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C2C3CCC4=CC=CC=C4C3C5=C(N2)C=CC(=C5)C(=N)N)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C2C3CCC4=CC=CC=C4C3C5=C(N2)C=CC(=C5)C(=N)N)O

InChI

InChI=1S/C25H24N4O4/c1-33-21-12-15(29(31)32)11-19(24(21)30)23-17-8-6-13-4-2-3-5-16(13)22(17)18-10-14(25(26)27)7-9-20(18)28-23/h2-5,7,9-12,17,22-23,28,30H,6,8H2,1H3,(H3,26,27)